data_2kby_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kby _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.675 0.274 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 HD12 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.669 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.451 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.698 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 HD21 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.592 ' HZ1' HE21 ' C' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.51 ' SD ' HD12 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.593 ' HH ' HE21 ' A' ' 43' ' ' GLN . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.593 HE21 ' HH ' ' A' ' 39' ' ' TYR . 12.8 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.2 tp60 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.021 0 CA-C-O 120.654 0.264 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.669 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.469 HG23 HD12 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.708 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.698 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.616 HD21 HD21 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.57 ' HZ1' HE21 ' D' ' 43' ' ' GLN . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.522 HD12 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.52 ' SD ' HD12 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.604 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.704 HG12 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.607 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.575 ' HH ' HE21 ' B' ' 43' ' ' GLN . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.578 HE21 ' HZ1' ' D' ' 22' ' ' LYS . 12.7 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.622 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.462 HG23 HD12 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.519 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.698 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.489 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.708 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.624 HD21 HD21 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HZ1' HE21 ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.512 ' SD ' HD12 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.601 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.698 HG21 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.572 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.591 ' HH ' HE21 ' C' ' 43' ' ' GLN . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.592 HE21 ' HZ1' ' A' ' 22' ' ' LYS . 12.8 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 3.2 tp60 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.691 0.282 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.47 HG23 HD12 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.465 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.707 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.492 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.698 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.616 HD21 HD21 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.578 ' HZ1' HE21 ' B' ' 43' ' ' GLN . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.4 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.52 HD12 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.607 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.704 HG21 HG12 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.575 ' HH ' HE21 ' D' ' 43' ' ' GLN . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.575 HE21 ' HH ' ' D' ' 39' ' ' TYR . 12.7 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.517 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' NZ ' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' MET . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.691 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.652 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 HD12 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' C' ' 28' ' ' MET . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.622 ' HE1' HD13 ' C' ' 27' ' ' LEU . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.636 HD21 HG22 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.426 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' NE2' ' HE3' ' C' ' 19' ' ' MET . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.513 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.3 pt-20 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.533 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.441 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' B' ' 19' ' ' MET . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.691 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.633 ' NZ ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.462 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' D' ' 28' ' ' MET . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.615 ' HE1' HD13 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.643 HD21 HG22 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.644 HG22 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.432 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.423 ' NE2' ' HE3' ' D' ' 19' ' ' MET . 28.0 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.634 HD12 ' NZ ' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.454 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.58 ' O ' ' HB2' ' C' ' 19' ' ' MET . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.693 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.503 HD11 HD12 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' A' ' 28' ' ' MET . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 27' ' ' LEU . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.639 HD21 HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.636 HG22 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.419 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.431 ' NE2' ' HE3' ' A' ' 19' ' ' MET . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.513 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.4 pt-20 . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.625 HD12 ' NZ ' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.641 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.534 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.445 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' D' ' 19' ' ' MET . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.693 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.634 ' NZ ' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.462 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.49 HD11 HD12 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.615 HD13 ' HE1' ' B' ' 28' ' ' MET . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.622 ' HE1' HD13 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.643 HG22 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.434 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.421 ' NE2' ' HE3' ' B' ' 19' ' ' MET . 28.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.229 -0.015 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' B' ' 18' ' ' LEU . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' MET . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.455 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD11 HD11 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.437 ' HE1' HD12 ' C' ' 27' ' ' LEU . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD23 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.621 HG21 HD23 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.9 tp60 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 HD13 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' TYR . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' B' ' 19' ' ' MET . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.583 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.549 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.445 ' HE1' HD12 ' D' ' 27' ' ' LEU . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.626 HD23 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.628 HG21 HD23 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.482 HG12 HD13 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.666 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.459 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' C' ' 19' ' ' MET . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.694 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.452 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' C' ' 17' ' ' ILE . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.425 ' HB2' ' C ' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.615 HD11 HD11 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.436 ' HE1' HD12 ' A' ' 27' ' ' LEU . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . 0.405 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.487 HG12 HD13 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.73 0.3 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' D' ' 19' ' ' MET . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.694 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' D' ' 17' ' ' ILE . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.548 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.619 HD11 HD11 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.445 ' HE1' HD12 ' B' ' 27' ' ' LEU . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.628 HD23 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.626 HG21 HD23 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.428 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.482 HG12 HD13 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.519 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.612 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' B' ' 22' ' ' LYS . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 21' ' ' LEU . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HG ' HD22 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' B' ' 7' ' ' LEU . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 HD11 ' B' ' 18' ' ' LEU . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' HE2' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 24' ' ' SER . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.656 HD22 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.663 HG23 HD22 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.555 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HH ' HE21 ' A' ' 43' ' ' GLN . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.579 HE21 ' HH ' ' A' ' 39' ' ' TYR . 27.6 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.612 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' A' ' 22' ' ' LYS . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 21' ' ' LEU . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.519 ' HE3' HD11 ' A' ' 7' ' ' LEU . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 18' ' ' LEU . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.473 HD13 ' HE2' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' ' 24' ' ' SER . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.653 HD22 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.655 HG23 HD22 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.557 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.578 ' HH ' HE21 ' B' ' 43' ' ' GLN . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.578 HE21 ' HH ' ' B' ' 39' ' ' TYR . 27.8 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.033 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.665 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.523 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' D' ' 22' ' ' LYS . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.405 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.548 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' D' ' 21' ' ' LEU . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.548 HD22 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.524 ' HE3' HD11 ' D' ' 7' ' ' LEU . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.555 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.479 HD11 HD11 ' D' ' 18' ' ' LEU . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.467 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' C' ' 24' ' ' SER . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.663 HD22 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.656 HG23 HD22 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.582 ' HH ' HE21 ' C' ' 43' ' ' GLN . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.582 HE21 ' HH ' ' C' ' 39' ' ' TYR . 27.8 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.427 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.524 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.481 HG23 ' HG3' ' C' ' 22' ' ' LYS . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.665 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.401 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' C' ' 21' ' ' LEU . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.562 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.523 ' HE3' HD11 ' C' ' 7' ' ' LEU . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.459 HD11 HD11 ' C' ' 18' ' ' LEU . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' D' ' 24' ' ' SER . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.655 HD22 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.653 HG23 HD22 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.577 ' HH ' HE21 ' D' ' 43' ' ' GLN . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.577 HE21 ' HH ' ' D' ' 39' ' ' TYR . 27.7 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.546 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.723 0.297 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.622 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 19' ' ' MET . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.552 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' B' ' 21' ' ' LEU . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.505 ' HE1' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.572 ' HB3' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 HD13 HD12 ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HD21 ' A' ' 30' ' ' LEU . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 HG23 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 HD22 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.454 ' CD ' ' HE1' ' C' ' 19' ' ' MET . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.706 0.289 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.626 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.509 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' B' ' 19' ' ' MET . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.551 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 21' ' ' LEU . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.507 ' HE1' ' HZ1' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.622 ' HE3' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.486 HD13 HD12 ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.478 ' O ' HD21 ' B' ' 30' ' ' LEU . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.679 HD22 HG23 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.681 HG23 HD22 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.452 ' CD ' ' HE1' ' D' ' 19' ' ' MET . 21.7 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.623 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.524 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' C' ' 19' ' ' MET . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.553 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' D' ' 21' ' ' LEU . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.505 ' HE1' ' HZ1' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.622 ' HE3' HD11 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.501 HD13 HD12 ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.471 ' O ' HD21 ' C' ' 30' ' ' LEU . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.671 HG23 HD22 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.457 ' CD ' ' HE1' ' A' ' 19' ' ' MET . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.546 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.622 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.511 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 19' ' ' MET . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' C' ' 21' ' ' LEU . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.507 ' HE1' ' HZ1' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.623 ' HE3' HD11 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.486 HD13 HD12 ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.479 ' O ' HD21 ' D' ' 30' ' ' LEU . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.681 HD22 HG23 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.679 HG23 HD22 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.468 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.454 ' CD ' ' HE1' ' B' ' 19' ' ' MET . 21.7 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.68 0.276 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' B' ' 22' ' ' LYS . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE1' HD12 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.613 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD21 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.691 ' HZ2' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 HD11 ' B' ' 18' ' ' LEU . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' C' ' 28' ' ' MET . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE1' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG21 HD22 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HD13 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' HD22 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.683 ' HG2' ' HZ2' ' C' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 . . . . . 0 N--CA 1.459 -0.021 0 CA-C-O 120.648 0.261 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 22' ' ' LYS . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.404 ' HE1' HD12 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.475 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.641 HD21 HD21 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.687 ' HZ2' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 18' ' ' LEU . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' D' ' 28' ' ' MET . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.519 ' HE1' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.639 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.642 HG21 HD22 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.495 HG12 HD13 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.687 ' HG2' ' HZ2' ' D' ' 22' ' ' LYS . 53.0 tp60 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.641 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' D' ' 22' ' ' LYS . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.409 ' HE1' HD12 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.615 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.683 ' HZ2' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.482 HD12 HD11 ' D' ' 18' ' ' LEU . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE1' ' A' ' 28' ' ' MET . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.52 ' HE1' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . 0.426 ' O ' HD22 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.691 ' HG2' ' HZ2' ' A' ' 22' ' ' LYS . 53.1 tp60 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . 0.426 HD22 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.666 0.27 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' C' ' 22' ' ' LYS . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.407 ' HE1' HD12 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.615 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.641 HD21 HD21 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.687 ' HZ2' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.484 HD12 HD11 ' C' ' 18' ' ' LEU . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE1' ' B' ' 28' ' ' MET . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE1' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.639 HG21 HD22 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.501 HG12 HD13 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.687 ' HG2' ' HZ2' ' B' ' 22' ' ' LYS . 53.0 tp60 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.668 0.27 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.2 tt0 -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' B' ' 22' ' ' LYS . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.684 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.554 HD22 HD22 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.582 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HE3' HD11 ' B' ' 7' ' ' LEU . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.556 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 18' ' ' LEU . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HB2' ' HH ' ' C' ' 39' ' ' TYR . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HD11 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.709 HD23 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.702 HG21 HD23 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.504 ' NE2' ' HZ2' ' C' ' 22' ' ' LYS . 21.0 tp60 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.028 0 CA-C-O 120.638 0.256 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.684 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.611 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.647 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.2 tt0 -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 22' ' ' LYS . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.67 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.506 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 21' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HE3' HD11 ' A' ' 7' ' ' LEU . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.413 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.554 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 18' ' ' LEU . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.496 ' HB2' ' HH ' ' D' ' 39' ' ' TYR . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 HD11 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.612 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.724 HD23 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.719 HG21 HD23 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.571 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.496 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.499 ' NE2' ' HZ2' ' D' ' 22' ' ' LYS . 20.8 tp60 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.525 -0.008 0 CA-C-O 120.688 0.28 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.645 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.442 HG23 ' HG3' ' D' ' 22' ' ' LYS . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.552 HD22 HD22 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.529 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.582 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.647 ' HE3' HD11 ' D' ' 7' ' ' LEU . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.554 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.503 HD13 HD12 ' D' ' 18' ' ' LEU . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.486 HD22 HD11 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.582 ' HA ' ' HE3' ' C' ' 28' ' ' MET . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.709 HG21 HD23 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.572 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.591 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.5 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HZ2' ' A' ' 22' ' ' LYS . 21.0 tp60 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.426 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.664 0.269 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.2 tt0 -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' C' ' 22' ' ' LYS . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.505 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' C' ' 21' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.645 ' HE3' HD11 ' C' ' 7' ' ' LEU . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.547 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.488 HD13 HD12 ' C' ' 18' ' ' LEU . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.496 ' HB2' ' HH ' ' B' ' 39' ' ' TYR . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.612 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.719 HD23 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.724 HG21 HD23 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.569 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.598 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.496 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HZ2' ' B' ' 22' ' ' LYS . 21.2 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.614 0.245 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.63 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HZ3' ' HH ' ' C' ' 39' ' ' TYR . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.48 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 HD11 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD11 ' HE3' ' C' ' 28' ' ' MET . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE3' HD11 ' C' ' 27' ' ' LEU . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HH ' ' HZ3' ' C' ' 22' ' ' LYS . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.502 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.603 0.239 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.627 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.461 HG21 HD21 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.554 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.63 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.549 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.627 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.519 ' HZ3' ' HH ' ' D' ' 39' ' ' TYR . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.477 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.618 HD11 ' HE3' ' D' ' 28' ' ' MET . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.62 ' HE3' HD11 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.701 HD21 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.697 HG23 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.598 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.514 ' HH ' ' HZ3' ' D' ' 22' ' ' LYS . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.453 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.498 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.65 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' D' ' 18' ' ' LEU . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.468 HG21 HD21 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.547 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD11 ' D' ' 25' ' ' LEU . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.626 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HZ3' ' HH ' ' A' ' 39' ' ' TYR . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.48 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.503 HD12 HD11 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.628 HD11 ' HE3' ' A' ' 28' ' ' MET . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.63 ' HE3' HD11 ' A' ' 27' ' ' LEU . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.706 HD21 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.494 ' HH ' ' HZ3' ' A' ' 22' ' ' LYS . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.499 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.679 0.275 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' C' ' 18' ' ' LEU . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.462 HG21 HD21 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.546 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.547 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.514 ' HZ3' ' HH ' ' B' ' 39' ' ' TYR . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.477 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.502 HD12 HD11 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.62 HD11 ' HE3' ' B' ' 28' ' ' MET . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.618 ' HE3' HD11 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.697 HD21 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.701 HG23 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.519 ' HH ' ' HZ3' ' B' ' 22' ' ' LYS . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.45 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.665 0.269 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 19' ' ' MET . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 HD21 ' B' ' 18' ' ' LEU . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.44 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.62 ' HE2' HD11 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.651 HD21 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.649 HG23 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' HH ' ' HZ2' ' C' ' 22' ' ' LYS . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.547 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.711 0.291 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.405 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.49 HG22 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.527 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' B' ' 19' ' ' MET . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 18' ' ' LEU . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.541 ' HG ' HD22 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.531 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.435 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.484 HD13 HD21 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.613 ' HE2' HD11 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.659 HG23 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.448 ' HH ' ' HZ2' ' D' ' 22' ' ' LYS . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.545 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.681 0.277 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.405 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.632 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.487 HG22 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.664 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' C' ' 19' ' ' MET . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.572 HD21 HD21 ' D' ' 18' ' ' LEU . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.547 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.44 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.482 HD13 HD21 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.62 HD11 ' HE2' ' A' ' 28' ' ' MET . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.616 ' HE2' HD11 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.651 HG23 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.441 ' N ' ' CD ' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.449 ' HH ' ' HZ2' ' A' ' 22' ' ' LYS . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.704 0.288 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.632 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.484 HG22 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' D' ' 19' ' ' MET . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.572 HD21 HD21 ' C' ' 18' ' ' LEU . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.542 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.545 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.437 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.488 HD13 HD12 ' C' ' 18' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.613 HD11 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.617 ' HE2' HD11 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.653 HG23 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.447 ' HH ' ' HZ2' ' B' ' 22' ' ' LYS . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.531 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.573 0.225 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.677 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD12 ' HE3' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HB2' ' A' ' 19' ' ' MET . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD23 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' B' ' 7' ' ' LEU . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HG ' HD12 ' A' ' 21' ' ' LEU . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.587 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.633 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 4.3 tp60 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.502 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.597 0.236 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.516 HD12 ' HE3' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.677 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' B' ' 19' ' ' MET . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.551 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.648 HD23 HD23 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.518 ' HE3' HD12 ' A' ' 7' ' ' LEU . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.572 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.434 ' HG ' HD12 ' B' ' 21' ' ' LEU . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.611 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.506 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.642 0.258 . . . . 0.0 111.44 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' D' ' 22' ' ' LYS . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' C' ' 19' ' ' MET . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.541 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.656 HD23 HD23 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.512 ' HE3' HD12 ' D' ' 7' ' ' LEU . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.571 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' C' ' 21' ' ' LEU . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.591 ' HA ' ' HE3' ' C' ' 28' ' ' MET . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 4.3 tp60 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.595 0.236 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.512 HD12 ' HE3' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.435 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' D' ' 19' ' ' MET . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.648 HD23 HD23 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.524 ' HE3' HD12 ' C' ' 7' ' ' LEU . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.571 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.437 ' HG ' HD12 ' D' ' 21' ' ' LEU . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.601 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.611 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.3 tt0 -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 HD21 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD22 HD22 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' B' ' 18' ' ' LEU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.504 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 30' ' ' LEU . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.672 HG13 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' HH ' HE21 ' A' ' 43' ' ' GLN . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.49 HE21 ' HH ' ' A' ' 39' ' ' TYR . 28.2 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.522 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.716 0.293 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.3 tt0 -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.46 HG21 HD12 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.679 HD22 HD22 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 18' ' ' LEU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.594 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.503 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.471 HD23 HD11 ' B' ' 30' ' ' LEU . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.596 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.67 HG21 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 5.4 tp-100 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.504 ' HH ' HE21 ' B' ' 43' ' ' GLN . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.504 HE21 ' HH ' ' B' ' 39' ' ' TYR . 28.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.684 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.475 HG21 HD12 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.506 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.461 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.678 HD22 HD22 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' D' ' 18' ' ' LEU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . 0.457 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.598 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.464 HD23 HD11 ' C' ' 30' ' ' LEU . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.599 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.59 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.672 HG21 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 5.4 tp-100 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.589 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.49 ' HH ' HE21 ' C' ' 43' ' ' GLN . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.49 HE21 ' HH ' ' C' ' 39' ' ' TYR . 28.2 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.521 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.615 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.462 HG21 HD12 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.684 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.497 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.471 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.679 HD22 HD22 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' C' ' 18' ' ' LEU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.446 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.502 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.469 HD23 HD11 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.594 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.603 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.67 HG13 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.504 ' HH ' HE21 ' D' ' 43' ' ' GLN . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.504 HE21 ' HH ' ' D' ' 39' ' ' TYR . 28.2 tt0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.569 0.223 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.65 ' HH ' ' HD3' ' B' ' 12' ' ' ARG . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 HD12 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.67 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD21 HD21 ' B' ' 18' ' ' LEU . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' HG ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' NZ ' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.494 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD11 ' B' ' 18' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' HE2' ' C' ' 28' ' ' MET . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.557 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.661 HG21 HD23 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 HG11 HD13 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' HH ' ' HZ1' ' C' ' 22' ' ' LYS . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 0.5 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.632 0.253 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.653 ' HH ' ' HD3' ' A' ' 12' ' ' ARG . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 HD12 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.65 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 18' ' ' LEU . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.564 ' NZ ' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.485 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.498 HD11 HD11 ' A' ' 18' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.538 HD12 ' HE2' ' D' ' 28' ' ' MET . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.539 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.676 HD23 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.685 HG21 HD23 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.47 HG11 HD13 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.561 ' HH ' ' HZ1' ' D' ' 22' ' ' LYS . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.575 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.522 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.604 0.24 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.651 ' HH ' ' HD3' ' D' ' 12' ' ' ARG . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.603 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.5 HG22 HD12 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.663 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.648 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.535 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.549 HD21 HD21 ' D' ' 18' ' ' LEU . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.536 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.535 HD23 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.564 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.494 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.5 HD11 HD11 ' D' ' 18' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 28' ' ' MET . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.552 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' HD11 ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.56 ' HH ' ' HZ1' ' A' ' 22' ' ' LYS . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.572 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.52 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.647 0.26 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.648 ' HH ' ' HD3' ' C' ' 12' ' ' ARG . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.506 HG22 HD12 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.651 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.408 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.549 HD21 HD21 ' C' ' 18' ' ' LEU . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.529 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.575 ' NZ ' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.485 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.496 HD11 HD11 ' C' ' 18' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.539 HD12 ' HE2' ' B' ' 28' ' ' MET . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.538 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.685 HD23 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.676 HG21 HD23 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.458 HG11 HD13 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.555 ' HH ' ' HZ1' ' B' ' 22' ' ' LYS . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.441 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.828 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.674 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.564 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' B' ' 21' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.551 ' HG ' HD22 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HE3' HD11 ' B' ' 7' ' ' LEU . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 18' ' ' LEU . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 24' ' ' SER . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.567 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.689 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.576 ' HH ' HE21 ' A' ' 43' ' ' GLN . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.576 HE21 ' HH ' ' A' ' 39' ' ' TYR . 32.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.446 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.736 0.303 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.674 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.617 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.526 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.427 ' CG2' HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.557 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 21' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 7' ' ' LEU . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.579 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 18' ' ' LEU . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' B' ' 24' ' ' SER . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.568 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.695 HG13 HG22 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.557 ' HH ' HE21 ' B' ' 43' ' ' GLN . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.557 HE21 ' HH ' ' B' ' 39' ' ' TYR . 32.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.419 ' CG2' HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.673 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.542 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' D' ' 21' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.551 HD22 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.519 ' HE3' HD11 ' D' ' 7' ' ' LEU . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.58 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.487 HD11 HD12 ' D' ' 18' ' ' LEU . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.509 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' C' ' 24' ' ' SER . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.569 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.689 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.579 ' HH ' HE21 ' C' ' 43' ' ' GLN . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.579 HE21 ' HH ' ' C' ' 39' ' ' TYR . 32.2 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.445 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 111.805 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.519 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.658 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.549 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' C' ' 21' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.528 ' HE3' HD11 ' C' ' 7' ' ' LEU . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.577 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.513 HD11 HD12 ' C' ' 18' ' ' LEU . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' D' ' 24' ' ' SER . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.695 HG22 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.558 ' HH ' HE21 ' D' ' 43' ' ' GLN . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.558 HE21 ' HH ' ' D' ' 39' ' ' TYR . 32.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 CA--C 1.525 -0.011 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.674 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' HD3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' B' ' 22' ' ' LYS . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' A' ' 19' ' ' MET . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 18' ' ' LEU . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD13 ' B' ' 7' ' ' LEU . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.476 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD13 HD11 ' B' ' 18' ' ' LEU . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' C' ' 28' ' ' MET . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE2' HD13 ' C' ' 27' ' ' LEU . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG22 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.718 HG22 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.548 HE22 ' HB3' ' D' ' 8' ' ' GLN . 58.3 tp60 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.53 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.725 0.297 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.402 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 22' ' ' LYS . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.674 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.558 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' B' ' 19' ' ' MET . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 18' ' ' LEU . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.547 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.546 ' HZ3' ' N ' ' A' ' 8' ' ' GLN . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.475 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 18' ' ' LEU . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.616 HD13 ' HE2' ' D' ' 28' ' ' MET . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE2' HD13 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.709 HD21 HG22 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.714 HG22 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.546 HE22 ' HB3' ' C' ' 8' ' ' GLN . 58.3 tp60 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.748 0.308 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.525 HD13 ' HD3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' D' ' 22' ' ' LYS . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.545 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' C' ' 19' ' ' MET . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.524 HD23 HD23 ' D' ' 18' ' ' LEU . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.635 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.541 ' HD3' HD13 ' D' ' 7' ' ' LEU . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.476 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.438 HD13 HD11 ' D' ' 18' ' ' LEU . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.611 HD13 ' HE2' ' A' ' 28' ' ' MET . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.607 ' HE2' HD13 ' A' ' 27' ' ' LEU . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.717 HG22 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.542 HE22 ' HB3' ' B' ' 8' ' ' GLN . 58.4 tp60 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.526 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.2 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.701 0.286 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.402 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.541 HD13 ' HD3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.448 HG23 ' HG3' ' C' ' 22' ' ' LYS . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HB2' ' D' ' 19' ' ' MET . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.524 HD23 HD23 ' C' ' 18' ' ' LEU . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.545 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.625 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.544 ' HZ3' ' N ' ' C' ' 8' ' ' GLN . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.475 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.447 HD13 HD11 ' C' ' 18' ' ' LEU . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.611 HD13 ' HE2' ' B' ' 28' ' ' MET . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.714 HD21 HG22 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.709 HG22 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.527 HE22 ' HB3' ' A' ' 8' ' ' GLN . 58.4 tp60 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.055 0 CA-C-O 120.646 0.26 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HD2' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.655 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' MET . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD2' HD22 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HD22 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.592 ' HD2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.643 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG3' HD22 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' HD21 ' A' ' 30' ' ' LEU . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.646 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.704 HG21 HD22 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 18.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 HG11 HD13 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.5 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.228 -0.052 0 CA-C-O 120.648 0.261 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.592 HD11 ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.58 ' HG2' HG23 ' A' ' 4' ' ' THR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.675 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.509 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.501 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' B' ' 19' ' ' MET . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.577 ' HE3' ' NZ ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.441 ' HD2' HD22 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.611 HD22 HD22 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.577 ' NZ ' ' HE3' ' B' ' 19' ' ' MET . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.647 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.497 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.48 ' O ' HD21 ' B' ' 30' ' ' LEU . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.651 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.688 HD22 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.689 HG21 HD22 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.535 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.434 HG11 HD13 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.669 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.581 HD11 ' HD2' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.655 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.496 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' C' ' 19' ' ' MET . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.586 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.573 ' HE3' ' NZ ' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.444 ' HD2' HD22 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.61 HD22 HD22 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.592 ' HD2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.646 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HG3' HD22 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.482 ' O ' HD21 ' C' ' 30' ' ' LEU . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.704 HG21 HD22 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 18.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.498 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 CA--C 1.524 -0.049 0 CA-C-O 120.589 0.233 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.592 HD11 ' HD2' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.578 ' HG2' HG23 ' C' ' 4' ' ' THR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.669 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.51 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.503 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' D' ' 19' ' ' MET . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.586 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.575 ' HE3' ' NZ ' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.442 ' HD2' HD22 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.611 HD22 HD22 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.581 ' HD2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.651 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.496 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.449 ' HG3' HD22 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.477 ' O ' HD21 ' D' ' 30' ' ' LEU . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.689 HD22 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.688 HG21 HD22 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.535 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.425 HG11 HD13 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.626 HD11 ' NZ ' ' B' ' 22' ' ' LYS . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG2' HD12 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.614 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.412 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' B' ' 18' ' ' LEU . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.543 ' HE2' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.546 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 HD13 HD11 ' B' ' 18' ' ' LEU . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 24' ' ' SER . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG21 HD22 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.625 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.613 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 18' ' ' LEU . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HZ1' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.626 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 18' ' ' LEU . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' B' ' 24' ' ' SER . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.647 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.645 HG21 HD22 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.462 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.627 HD11 ' NZ ' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.627 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' D' ' 18' ' ' LEU . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.54 ' HE2' ' HZ1' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.546 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.549 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.517 HD13 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 24' ' ' SER . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.635 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 9.7 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.464 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.627 ' HH ' ' HD3' ' C' ' 12' ' ' ARG . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.627 HD11 ' NZ ' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.622 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' C' ' 18' ' ' LEU . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.551 ' HE2' ' HZ1' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.549 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.526 HD13 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.521 HD12 ' HE2' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' D' ' 24' ' ' SER . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.645 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.647 HG21 HD22 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 9.7 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.032 0 CA-C-O 120.746 0.308 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.729 HD13 ' HZ1' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.688 ' H ' ' HZ3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.439 HG23 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' HG ' ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.725 ' HZ1' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 HD11 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.59 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.59 ' HE3' HD12 ' C' ' 27' ' ' LEU . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.698 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.697 HG21 HD22 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.737 0.303 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.725 HD13 ' HZ1' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.666 ' H ' ' HZ3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.455 HG23 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HZ1' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.584 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.593 ' HE3' HD12 ' D' ' 27' ' ' LEU . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.712 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.71 HG21 HD22 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.498 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.728 HD13 ' HZ1' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.689 ' H ' ' HZ3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.441 HG23 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.713 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.521 ' HG ' HD11 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.725 ' HZ1' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.653 HD11 HD11 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.59 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.59 ' HE3' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.698 HG21 HD22 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.439 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.503 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.687 0.279 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.725 HD13 ' HZ1' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.665 ' H ' ' HZ3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.456 HG23 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.547 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.713 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.728 ' HZ1' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.45 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.668 HD11 HD11 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.593 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.584 ' HE3' HD12 ' B' ' 27' ' ' LEU . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.71 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.712 HG21 HD22 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.496 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.635 HD13 ' HZ1' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.662 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.511 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD13 ' HG ' ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.65 ' HZ1' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.604 HD11 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE3' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.675 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.431 ' CD ' ' HE3' ' C' ' 19' ' ' MET . 25.0 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.65 HD13 ' HZ1' ' A' ' 22' ' ' LYS . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.583 ' HG ' HD13 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.635 ' HZ1' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' D' ' 28' ' ' MET . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.553 ' HE3' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.582 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.672 HG22 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.563 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . 0.42 ' CD ' ' HE3' ' D' ' 19' ' ' MET . 25.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.496 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.635 HD13 ' HZ1' ' D' ' 22' ' ' LYS . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.55 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.574 ' HG ' HD13 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.652 ' HZ1' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.6 HD11 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.559 HD12 ' HE3' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.556 ' HE3' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.564 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.567 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . 0.54 ' HA ' HE21 ' C' ' 41' ' ' GLN . 0.0 OUTLIER -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . 0.432 ' CD ' ' HE3' ' A' ' 19' ' ' MET . 25.0 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.495 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.652 HD13 ' HZ1' ' C' ' 22' ' ' LYS . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.56 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.583 HD13 ' HG ' ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.635 ' HZ1' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.62 HD11 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.553 HD12 ' HE3' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.556 ' HE3' HD12 ' B' ' 27' ' ' LEU . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.58 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.672 HG13 HG22 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.563 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' D' ' 41' ' ' GLN . 0.0 OUTLIER -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . 0.418 ' CD ' ' HE3' ' B' ' 19' ' ' MET . 24.9 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.1 pt-20 . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.718 0.294 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.56 HD13 ' HD3' ' B' ' 22' ' ' LYS . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG22 ' HG3' ' B' ' 22' ' ' LYS . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 HD21 HD21 ' B' ' 18' ' ' LEU . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HG ' HD23 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HD3' HD13 ' B' ' 7' ' ' LEU . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.441 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 HD11 ' B' ' 18' ' ' LEU . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' HB2' ' HH ' ' C' ' 39' ' ' TYR . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' C' ' 28' ' ' MET . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.601 ' HE2' HD11 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.688 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.685 0.279 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.553 HD13 ' HD3' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.44 HG22 ' HG3' ' A' ' 22' ' ' LYS . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.676 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.533 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.555 HD21 HD21 ' A' ' 18' ' ' LEU . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.56 ' HD3' HD13 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' HH ' ' D' ' 39' ' ' TYR . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.603 HD11 ' HE2' ' D' ' 28' ' ' MET . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.604 ' HE2' HD11 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.665 HG13 HG22 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.49 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.1 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.704 0.288 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.56 HD13 ' HD3' ' D' ' 22' ' ' LYS . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' D' ' 22' ' ' LYS . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.55 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.554 HD21 HD21 ' D' ' 18' ' ' LEU . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.612 HD23 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' D' ' 7' ' ' LEU . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.441 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . 0.45 HD12 HD11 ' D' ' 18' ' ' LEU . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.486 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 28' ' ' MET . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.595 ' HE2' HD11 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.586 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.591 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.489 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . 0.497 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.1 pt-20 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.685 0.278 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . 0.423 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.549 HD13 ' HD3' ' C' ' 22' ' ' LYS . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 22' ' ' LYS . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . 0.54 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.554 HD21 HD21 ' C' ' 18' ' ' LEU . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.542 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.607 HD23 ' HG ' ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.56 ' HD3' HD13 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.443 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . 0.455 HD12 HD11 ' C' ' 18' ' ' LEU . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.49 ' HB2' ' HH ' ' B' ' 39' ' ' TYR . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' B' ' 28' ' ' MET . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.603 ' HE2' HD11 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.665 HG22 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.487 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.675 0.274 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.677 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 HD21 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.522 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HE1' ' C' ' 28' ' ' MET . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.612 ' HE1' HD12 ' C' ' 27' ' ' LEU . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD23 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.714 HG23 HD23 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 9.5 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.015 0 CA-C-O 120.656 0.265 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.571 HG23 HD11 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.649 HD21 HD21 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.523 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.608 HD12 ' HE1' ' D' ' 28' ' ' MET . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' MET . . . . . 0.603 ' HE1' HD12 ' D' ' 27' ' ' LEU . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.716 HD23 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.718 HG23 HD23 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 9.5 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.436 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.459 -0.016 0 CA-C-O 120.693 0.282 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' VAL . . . . . 0.56 HG23 HD11 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . 0.578 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' SER . . . . . 0.522 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE1' ' A' ' 28' ' ' MET . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' MET . . . . . 0.61 ' HE1' HD12 ' A' ' 27' ' ' LEU . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.714 HD23 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . 0.71 HG23 HD23 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' TYR . . . . . 0.444 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' VAL . . . . . 0.573 HG23 HD11 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . 0.578 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' MET . . . . . 0.509 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' LEU . . . . . 0.649 HD21 HD21 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' SER . . . . . 0.523 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' LEU . . . . . 0.603 HD12 ' HE1' ' B' ' 28' ' ' MET . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' MET . . . . . 0.608 ' HE1' HD12 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.718 HD23 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . 0.716 HG23 HD23 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' TYR . . . . . 0.438 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 9.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 HD12 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.669 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.698 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 HD21 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.592 ' HZ1' HE21 ' C' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD12 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.51 ' SD ' HD12 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' HH ' HE21 ' A' ' 43' ' ' GLN . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.593 HE21 ' HH ' ' A' ' 39' ' ' TYR . 12.8 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.2 tp60 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.71 -48.03 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.59 131.58 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.163 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.472 HE22 ' HG2' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -87.78 -3.24 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.901 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.74 8.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.669 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.469 HG23 HD12 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.708 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.698 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.616 HD21 HD21 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.57 ' HZ1' HE21 ' D' ' 43' ' ' GLN . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.522 HD12 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.52 ' SD ' HD12 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.604 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.704 HG12 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.607 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.575 ' HH ' HE21 ' B' ' 43' ' ' GLN . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.578 HE21 ' HZ1' ' D' ' 22' ' ' LYS . 12.7 tt0 -83.67 -28.94 28.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 3.2 tp60 -66.99 -21.43 65.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.479 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.63 -48.06 69.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.62 131.53 4.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.25 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.471 HE22 ' HG2' ' B' ' 43' ' ' GLN . 0.6 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.648 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.855 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.79 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.81 8.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.622 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.462 HG23 HD12 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.519 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.698 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.489 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.708 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.624 HD21 HD21 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.589 ' HZ1' HE21 ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.51 HD12 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.512 ' SD ' HD12 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.601 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.698 HG21 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.572 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.591 ' HH ' HE21 ' C' ' 43' ' ' GLN . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.592 HE21 ' HZ1' ' A' ' 22' ' ' LYS . 12.8 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 3.2 tp60 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.62 -48.05 69.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 131.6 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.185 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.476 HE22 ' HG2' ' C' ' 43' ' ' GLN . 0.6 OUTLIER -87.8 -3.26 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.679 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.869 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 8.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.47 HG23 HD12 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.465 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.707 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.492 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.698 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.616 HD21 HD21 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.578 ' HZ1' HE21 ' B' ' 43' ' ' GLN . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.4 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.459 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.52 HD12 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.522 ' SD ' HD12 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.607 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.704 HG21 HG12 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.575 ' HH ' HE21 ' D' ' 43' ' ' GLN . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.575 HE21 ' HH ' ' D' ' 39' ' ' TYR . 12.7 tt0 -83.68 -28.85 28.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 3.3 tp60 -67.09 -21.38 65.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.479 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.59 -48.17 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.54 131.56 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.195 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.472 HE22 ' HG2' ' D' ' 43' ' ' GLN . 0.6 OUTLIER -87.75 -3.27 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.882 -179.74 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.517 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.3 pt-20 -169.71 -150.41 0.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD12 ' NZ ' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' MET . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.691 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.652 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.473 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD11 HD12 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' C' ' 28' ' ' MET . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.622 ' HE1' HD13 ' C' ' 27' ' ' LEU . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.636 HD21 HG22 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.426 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' NE2' ' HE3' ' C' ' 19' ' ' MET . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 tp -56.34 -49.79 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 48.4 mt -134.17 88.47 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.07 37.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 109.904 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.073 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.513 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.3 pt-20 -169.74 -150.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.627 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.533 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.441 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' B' ' 19' ' ' MET . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.691 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.633 ' NZ ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.462 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.491 HD11 HD12 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' D' ' 28' ' ' MET . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.615 ' HE1' HD13 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.643 HD21 HG22 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.644 HG22 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.432 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.423 ' NE2' ' HE3' ' D' ' 19' ' ' MET . 28.0 tt0 -79.69 -40.07 29.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -60.54 -23.41 64.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.082 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.428 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 5.4 tp -56.28 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.567 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.428 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 49.2 mt -134.17 88.48 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.09 38.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.161 0.505 . . . . 0.0 109.945 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.994 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.3 pt-20 -169.78 -150.51 0.08 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.634 HD12 ' NZ ' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.454 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.58 ' O ' ' HB2' ' C' ' 19' ' ' MET . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.693 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.58 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.652 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.503 HD11 HD12 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.622 HD13 ' HE1' ' A' ' 28' ' ' MET . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 27' ' ' LEU . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.639 HD21 HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.636 HG22 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.419 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.431 ' NE2' ' HE3' ' A' ' 19' ' ' MET . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.418 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 5.3 tp -56.32 -49.75 73.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.418 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 48.9 mt -134.19 88.48 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.13 37.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.985 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.042 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.513 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.4 pt-20 -169.8 -150.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.625 HD12 ' NZ ' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.641 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.534 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.445 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' D' ' 19' ' ' MET . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.693 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.634 ' NZ ' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.462 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.49 HD11 HD12 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.615 HD13 ' HE1' ' B' ' 28' ' ' MET . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.622 ' HE1' HD13 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.644 HD21 HG22 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.643 HG22 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.431 ' N ' ' CD ' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.434 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.421 ' NE2' ' HE3' ' B' ' 19' ' ' MET . 28.0 tt0 -79.63 -40.15 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.55 -23.4 64.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.43 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 5.3 tp -56.19 -49.85 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.591 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.43 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 48.5 mt -134.12 88.51 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.181 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.08 37.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.148 0.499 . . . . 0.0 109.947 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.026 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -168.34 11.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' B' ' 18' ' ' LEU . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' MET . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.455 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD11 HD11 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HE1' HD12 ' C' ' 27' ' ' LEU . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD23 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.621 HG21 HD23 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.407 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.9 tp60 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG12 HD13 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -55.66 -43.1 75.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' HG ' HD22 ' A' ' 45' ' ' LEU . 87.9 mt -115.04 -71.37 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.77 38.35 29.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.021 0.438 . . . . 0.0 110.249 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 -168.38 11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' TYR . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' B' ' 19' ' ' MET . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.583 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.549 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.445 ' HE1' HD12 ' D' ' 27' ' ' LEU . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.626 HD23 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.628 HG21 HD23 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.431 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD13 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.482 HG12 HD13 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -35.91 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -22.67 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.218 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG ' ' B' ' 46' ' ' LEU . 0.9 OUTLIER -55.67 -43.08 75.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.7 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.51 ' HG ' HD22 ' B' ' 45' ' ' LEU . 88.4 mt -115.06 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.466 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.7 38.49 29.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.28 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.415 -0.803 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 -168.37 11.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' D' ' 18' ' ' LEU . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.666 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.459 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' C' ' 19' ' ' MET . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.694 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.452 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' C' ' 17' ' ' ILE . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.425 ' HB2' ' C ' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.615 HD11 HD11 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.554 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.436 ' HE1' HD12 ' A' ' 27' ' ' LEU . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.621 HD23 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . 0.405 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.415 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.531 ' HB3' HD13 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.487 HG12 HD13 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.502 HD22 ' HG ' ' C' ' 46' ' ' LEU . 0.9 OUTLIER -55.73 -43.05 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.502 ' HG ' HD22 ' C' ' 45' ' ' LEU . 88.2 mt -115.06 -71.34 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.64 38.53 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -168.31 11.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.66 HD22 ' HB3' ' C' ' 18' ' ' LEU . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.468 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.462 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' D' ' 19' ' ' MET . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.694 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.447 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' D' ' 17' ' ' ILE . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.548 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.619 HD11 HD11 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.445 ' HE1' HD12 ' B' ' 27' ' ' LEU . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.628 HD23 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.626 HG21 HD23 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.428 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.428 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.482 HG12 HD13 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.94 45.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.78 -22.72 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG ' ' D' ' 46' ' ' LEU . 0.9 OUTLIER -55.62 -43.14 75.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.7 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.51 ' HG ' HD22 ' D' ' 45' ' ' LEU . 88.4 mt -115.0 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.467 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.72 38.43 29.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 0.0 110.296 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.878 0.371 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 -163.11 21.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.519 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.612 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' B' ' 22' ' ' LYS . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' B' ' 21' ' ' LEU . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HG ' HD22 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' HE3' HD11 ' B' ' 7' ' ' LEU . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 HD11 HD11 ' B' ' 18' ' ' LEU . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD13 ' HE2' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.558 ' HG3' ' O ' ' A' ' 24' ' ' SER . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.656 HD22 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG23 HD22 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.555 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HH ' HE21 ' A' ' 43' ' ' GLN . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.579 HE21 ' HH ' ' A' ' 39' ' ' TYR . 27.6 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.52 -49.91 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 -67.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.41 39.03 28.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.016 0.436 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.815 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 -163.04 21.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.612 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.525 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.483 HG23 ' HG3' ' A' ' 22' ' ' LYS . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 21' ' ' LEU . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.562 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.519 ' HE3' HD11 ' A' ' 7' ' ' LEU . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 18' ' ' LEU . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.473 HD13 ' HE2' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' ' 24' ' ' SER . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.653 HD22 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.655 HG23 HD22 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.557 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.578 ' HH ' HE21 ' B' ' 43' ' ' GLN . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.578 HE21 ' HH ' ' B' ' 39' ' ' TYR . 27.8 tt0 -81.7 -38.69 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -66.59 -21.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.54 -49.83 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.2 -67.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.41 38.93 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 110.784 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.886 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 -163.09 21.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.665 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.523 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' D' ' 22' ' ' LYS . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.405 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.548 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' D' ' 21' ' ' LEU . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.548 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.548 HD22 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.524 ' HE3' HD11 ' D' ' 7' ' ' LEU . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.555 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.479 HD11 HD11 ' D' ' 18' ' ' LEU . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.467 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.555 ' HG3' ' O ' ' C' ' 24' ' ' SER . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.663 HD22 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.656 HG23 HD22 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.582 ' HH ' HE21 ' C' ' 43' ' ' GLN . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.582 HE21 ' HH ' ' C' ' 39' ' ' TYR . 27.8 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.47 -49.92 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.09 -67.93 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.281 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.46 38.97 28.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.698 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.882 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.427 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 -163.06 21.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.524 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.481 HG23 ' HG3' ' C' ' 22' ' ' LYS . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.665 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.401 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' C' ' 21' ' ' LEU . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.562 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.523 ' HE3' HD11 ' C' ' 7' ' ' LEU . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.567 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.459 HD11 HD11 ' C' ' 18' ' ' LEU . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.466 HD13 ' HE2' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' D' ' 24' ' ' SER . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.655 HD22 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.653 HG23 HD22 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.577 ' HH ' HE21 ' D' ' 43' ' ' GLN . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.577 HE21 ' HH ' ' D' ' 39' ' ' TYR . 27.7 tt0 -81.75 -38.61 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.66 -21.93 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.092 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.69 -49.8 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.14 -67.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.39 39.05 28.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.417 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.546 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -167.54 2.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.622 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 19' ' ' MET . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.552 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' B' ' 21' ' ' LEU . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.505 ' HE1' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.572 ' HB3' HD23 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HE3' HD11 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 HD13 HD12 ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HD21 ' A' ' 30' ' ' LEU . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 HG23 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 HD22 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.454 ' CD ' ' HE1' ' C' ' 19' ' ' MET . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.16 -49.96 70.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.42 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.018 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.538 HE21 ' HZ2' ' C' ' 22' ' ' LYS . 0.0 OUTLIER 57.55 30.68 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.958 -179.004 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.546 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 99.3 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 -167.53 2.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.595 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.542 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.626 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.509 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' B' ' 19' ' ' MET . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.551 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 21' ' ' LEU . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.507 ' HE1' ' HZ1' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.622 ' HE3' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.486 HD13 HD12 ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.478 ' O ' HD21 ' B' ' 30' ' ' LEU . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.679 HD22 HG23 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.681 HG23 HD22 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.452 ' CD ' ' HE1' ' D' ' 19' ' ' MET . 21.7 tt0 -80.43 -33.11 37.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.89 -22.64 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.2 -49.88 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.822 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.4 -72.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.983 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.537 HE21 ' HZ2' ' D' ' 22' ' ' LYS . 0.0 OUTLIER 57.57 30.61 19.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.175 0.512 . . . . 0.0 109.97 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.545 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 -167.52 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.668 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.61 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.623 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.421 ' CG2' HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.524 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' C' ' 19' ' ' MET . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.553 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' D' ' 21' ' ' LEU . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.505 ' HE1' ' HZ1' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.568 ' HB3' HD23 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.622 ' HE3' HD11 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.501 HD13 HD12 ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.471 ' O ' HD21 ' C' ' 30' ' ' LEU . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.67 HD22 HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.671 HG23 HD22 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.457 ' CD ' ' HE1' ' A' ' 19' ' ' MET . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.23 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -72.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.537 HE21 ' HZ2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 57.52 30.64 19.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.175 0.512 . . . . 0.0 109.975 -178.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.542 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.546 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -167.51 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.546 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.622 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.511 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' D' ' 19' ' ' MET . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' C' ' 21' ' ' LEU . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.507 ' HE1' ' HZ1' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.552 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.555 ' HB3' HD23 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.623 ' HE3' HD11 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.486 HD13 HD12 ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.479 ' O ' HD21 ' D' ' 30' ' ' LEU . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.681 HD22 HG23 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.679 HG23 HD22 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.468 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.454 ' CD ' ' HE1' ' B' ' 19' ' ' MET . 21.7 tt0 -80.39 -33.25 37.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.78 -22.61 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.934 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.22 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.952 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.532 HE21 ' HZ2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER 57.53 30.62 19.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.115 0.483 . . . . 0.0 109.968 -178.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.536 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 -168.27 10.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.018 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.428 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.54 HG22 ' HG3' ' B' ' 22' ' ' LYS . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE1' HD12 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.613 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD21 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.691 ' HZ2' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 HD11 ' B' ' 18' ' ' LEU . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' C' ' 28' ' ' MET . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE1' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG21 HD22 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG12 HD13 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' HD22 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.683 ' HG2' ' HZ2' ' C' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -56.77 -32.26 65.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD22 ' H ' ' A' ' 48' ' ' ARG . 7.5 tt -155.77 92.78 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.67 51.02 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.206 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' H ' HD22 ' A' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.014 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 -168.33 10.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.427 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 22' ' ' LYS . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.404 ' HE1' HD12 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.613 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.475 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.641 HD21 HD21 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.687 ' HZ2' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 18' ' ' LEU . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' D' ' 28' ' ' MET . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.519 ' HE1' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.639 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.642 HG21 HD22 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.495 HG12 HD13 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.424 ' O ' HD22 ' B' ' 45' ' ' LEU . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.687 ' HG2' ' HZ2' ' D' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.65 20.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.77 69.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -56.7 -32.37 65.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.517 HD22 ' H ' ' B' ' 48' ' ' ARG . 7.4 tt -155.66 92.77 1.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.64 51.05 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.161 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.517 ' H ' HD22 ' B' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.057 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -168.32 10.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.641 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.532 HG22 ' HG3' ' D' ' 22' ' ' LYS . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.409 ' HE1' HD12 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.615 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.65 HD21 HD21 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.683 ' HZ2' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.482 HD12 HD11 ' D' ' 18' ' ' LEU . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE1' ' A' ' 28' ' ' MET . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.52 ' HE1' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.648 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.653 HG21 HD22 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . 0.426 ' O ' HD22 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.691 ' HG2' ' HZ2' ' A' ' 22' ' ' LYS . 53.1 tp60 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.426 HD22 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER -56.74 -32.28 65.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.517 HD22 ' H ' ' C' ' 48' ' ' ARG . 7.5 tt -155.78 92.77 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.66 51.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.147 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.517 ' H ' HD22 ' C' ' 46' ' ' LEU . 87.4 mtm180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.997 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 -168.28 10.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.033 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' C' ' 22' ' ' LYS . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.407 ' HE1' HD12 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.615 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.641 HD21 HD21 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.687 ' HZ2' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.484 HD12 HD11 ' C' ' 18' ' ' LEU . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE1' ' B' ' 28' ' ' MET . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE1' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.639 HG21 HD22 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.501 HG12 HD13 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . 0.428 ' O ' HD22 ' D' ' 45' ' ' LEU . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.687 ' HG2' ' HZ2' ' B' ' 22' ' ' LYS . 53.0 tp60 -90.58 -23.55 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.37 -27.68 69.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.174 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.428 HD22 ' O ' ' D' ' 42' ' ' GLN . 0.4 OUTLIER -56.79 -32.24 65.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.515 HD22 ' H ' ' D' ' 48' ' ' ARG . 7.5 tt -155.71 92.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.4 ' HA ' HE21 ' D' ' 43' ' ' GLN . 0.1 OUTLIER -91.61 51.02 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.204 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.515 ' H ' HD22 ' D' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 -168.8 15.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.641 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.2 tt0 -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' B' ' 22' ' ' LYS . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.684 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.554 HD22 HD22 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.647 ' HE3' HD11 ' B' ' 7' ' ' LEU . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.556 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 18' ' ' LEU . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HB2' ' HH ' ' C' ' 39' ' ' TYR . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD22 HD11 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.586 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.709 HD23 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.702 HG21 HD23 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.504 ' NE2' ' HZ2' ' C' ' 22' ' ' LYS . 21.0 tp60 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.64 -49.95 71.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 HD23 ' NE2' ' D' ' 8' ' ' GLN . 17.1 tp -140.36 86.91 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.155 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.33 43.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.283 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.82 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 -168.75 15.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.684 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.611 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.647 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.2 tt0 -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 22' ' ' LYS . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.67 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.506 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 21' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.585 ' HG ' HD22 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HE3' HD11 ' A' ' 7' ' ' LEU . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.413 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.554 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.493 HD13 HD12 ' A' ' 18' ' ' LEU . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.496 ' HB2' ' HH ' ' D' ' 39' ' ' TYR . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.478 HD22 HD11 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.612 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.724 HD23 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.719 HG21 HD23 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.571 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.496 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.499 ' NE2' ' HZ2' ' D' ' 22' ' ' LYS . 20.8 tp60 -83.12 -32.87 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.93 -22.49 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.764 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.71 -49.9 71.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.765 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.459 HD23 ' NE2' ' C' ' 8' ' ' GLN . 17.1 tp -140.25 86.85 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.29 43.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.29 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.809 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 -168.79 15.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.645 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.442 HG23 ' HG3' ' D' ' 22' ' ' LYS . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.529 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.552 HD22 HD22 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.529 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.582 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.647 ' HE3' HD11 ' D' ' 7' ' ' LEU . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.554 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.503 HD13 HD12 ' D' ' 18' ' ' LEU . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.486 HD22 HD11 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.582 ' HA ' ' HE3' ' C' ' 28' ' ' MET . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.709 HG21 HD23 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.572 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.591 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.5 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HZ2' ' A' ' 22' ' ' LYS . 21.0 tp60 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -49.98 71.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.451 HD23 ' NE2' ' B' ' 8' ' ' GLN . 17.0 tp -140.25 86.9 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.109 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.25 43.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.302 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.856 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.426 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 -168.84 15.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.2 tt0 -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' C' ' 22' ' ' LYS . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.505 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.535 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' C' ' 21' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.585 HD22 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.645 ' HE3' HD11 ' C' ' 7' ' ' LEU . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.547 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.488 HD13 HD12 ' C' ' 18' ' ' LEU . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.496 ' HB2' ' HH ' ' B' ' 39' ' ' TYR . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.612 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.719 HD23 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.724 HG21 HD23 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.569 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.598 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.496 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HZ2' ' B' ' 22' ' ' LYS . 21.2 tp60 -83.19 -32.95 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.82 -22.57 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.742 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -50.0 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.766 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.458 HD23 ' NE2' ' A' ' 8' ' ' GLN . 17.1 tp -140.22 86.89 2.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.186 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.29 43.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.247 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.818 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 0.2 OUTLIER -168.14 12.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.649 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' B' ' 18' ' ' LEU . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.63 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HZ3' ' HH ' ' C' ' 39' ' ' TYR . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.48 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 HD11 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD11 ' HE3' ' C' ' 28' ' ' MET . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE3' HD11 ' C' ' 27' ' ' LEU . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.702 HD21 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.498 ' HH ' ' HZ3' ' C' ' 22' ' ' LYS . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD21 ' HG ' ' A' ' 46' ' ' LEU . 1.5 tp -56.28 -48.58 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' HG ' HD21 ' A' ' 45' ' ' LEU . 1.1 mt -106.52 -78.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.897 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.23 31.38 20.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.083 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.008 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.502 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 0.2 OUTLIER -168.13 13.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.627 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.461 HG21 HD21 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.554 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.63 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.549 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.627 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.519 ' HZ3' ' HH ' ' D' ' 39' ' ' TYR . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.477 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.618 HD11 ' HE3' ' D' ' 28' ' ' MET . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.62 ' HE3' HD11 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.701 HD21 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.697 HG23 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.598 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.514 ' HH ' ' HZ3' ' D' ' 22' ' ' LYS . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.453 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.77 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.484 HD21 ' HG ' ' B' ' 46' ' ' LEU . 1.6 tp -56.27 -48.6 76.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.217 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.484 ' HG ' HD21 ' B' ' 45' ' ' LEU . 1.1 mt -106.46 -78.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.95 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.22 31.48 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.175 0.512 . . . . 0.0 110.076 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.498 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 0.2 OUTLIER -168.19 12.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.65 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' D' ' 18' ' ' LEU . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.606 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.468 HG21 HD21 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.547 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD11 ' D' ' 25' ' ' LEU . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.626 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HZ3' ' HH ' ' A' ' 39' ' ' TYR . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.48 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.503 HD12 HD11 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.628 HD11 ' HE3' ' A' ' 28' ' ' MET . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.63 ' HE3' HD11 ' A' ' 27' ' ' LEU . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.706 HD21 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.494 ' HH ' ' HZ3' ' A' ' 22' ' ' LYS . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.465 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.486 HD21 ' HG ' ' C' ' 46' ' ' LEU . 1.6 tp -56.23 -48.65 76.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.486 ' HG ' HD21 ' C' ' 45' ' ' LEU . 1.1 mt -106.48 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.95 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.17 31.42 20.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.108 0.48 . . . . 0.0 110.094 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.98 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.499 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 0.2 OUTLIER -168.11 12.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' C' ' 18' ' ' LEU . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.462 HG21 HD21 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.546 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.633 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.547 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.514 ' HZ3' ' HH ' ' B' ' 39' ' ' TYR . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.477 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.502 HD12 HD11 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.62 HD11 ' HE3' ' B' ' 28' ' ' MET . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.618 ' HE3' HD11 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.697 HD21 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.701 HG23 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.564 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.519 ' HH ' ' HZ3' ' B' ' 22' ' ' LYS . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.45 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? -77.24 -42.82 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -22.91 67.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.397 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.488 HD21 ' HG ' ' D' ' 46' ' ' LEU . 1.5 tp -56.25 -48.68 76.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.183 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.488 ' HG ' HD21 ' D' ' 45' ' ' LEU . 1.1 mt -106.43 -78.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.971 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.21 31.36 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.103 0.478 . . . . 0.0 110.089 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.042 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.316 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -166.21 11.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' A' ' 19' ' ' MET . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.542 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 HD21 ' B' ' 18' ' ' LEU . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.44 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.62 ' HE2' HD11 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.651 HD21 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG23 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' HH ' ' HZ2' ' C' ' 22' ' ' LYS . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.547 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HG ' HD21 ' A' ' 46' ' ' LEU . 14.0 tp -55.46 -49.48 72.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 ' HG ' ' A' ' 45' ' ' LEU . 2.8 pp -163.13 118.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.063 0.458 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' NE2' HD13 ' D' ' 7' ' ' LEU . 30.0 tp60 -92.68 59.39 3.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.556 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 81.1 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.804 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -166.16 11.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.504 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.49 HG22 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.527 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' B' ' 19' ' ' MET . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 18' ' ' LEU . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.541 ' HG ' HD22 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.531 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.435 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.484 HD13 HD21 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.613 ' HE2' HD11 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.653 HD21 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.659 HG23 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.521 ' HB3' HD13 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.448 ' HH ' ' HZ2' ' D' ' 22' ' ' LYS . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.545 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.6 OUTLIER -84.2 -36.32 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -59.54 -22.39 61.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' B' ' 46' ' ' LEU . 14.1 tp -55.39 -49.56 72.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.465 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.517 HD21 ' HG ' ' B' ' 45' ' ' LEU . 2.8 pp -163.02 118.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' NE2' HD13 ' C' ' 7' ' ' LEU . 30.5 tp60 -92.58 59.27 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.471 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.554 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.497 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.632 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.487 HG22 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.664 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.52 ' O ' ' HB2' ' C' ' 19' ' ' MET . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.572 HD21 HD21 ' D' ' 18' ' ' LEU . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.527 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.547 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.44 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.482 HD13 HD21 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.62 HD11 ' HE2' ' A' ' 28' ' ' MET . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.616 ' HE2' HD11 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.651 HG23 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.441 ' N ' ' CD ' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.528 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.449 ' HH ' ' HZ2' ' A' ' 22' ' ' LYS . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.521 ' HG ' HD21 ' C' ' 46' ' ' LEU . 14.1 tp -55.33 -49.56 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.521 HD21 ' HG ' ' C' ' 45' ' ' LEU . 2.8 pp -163.05 118.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.448 ' NE2' HD13 ' B' ' 7' ' ' LEU . 30.2 tp60 -92.53 59.29 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.436 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.554 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.742 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.403 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.632 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.556 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.484 HG22 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.526 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' D' ' 19' ' ' MET . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.545 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.572 HD21 HD21 ' C' ' 18' ' ' LEU . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.542 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.545 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.437 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.488 HD13 HD12 ' C' ' 18' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.613 HD11 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.617 ' HE2' HD11 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.659 HD21 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.653 HG23 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.522 ' HB3' HD13 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.447 ' HH ' ' HZ2' ' B' ' 22' ' ' LYS . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' D' ' 44' ' ' GLN . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.531 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -84.2 -36.28 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' D' ' 40' ' ' ARG . 23.1 mm-40 -59.53 -22.46 61.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.27 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' D' ' 46' ' ' LEU . 14.1 tp -55.31 -49.6 71.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.466 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.517 HD21 ' HG ' ' D' ' 45' ' ' LEU . 2.8 pp -163.04 118.08 1.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' A' ' 7' ' ' LEU . 30.4 tp60 -92.56 59.3 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.558 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' C ' ' H ' ' A' ' 3' ' ' ASP . 8.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 -76.24 20.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.363 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 1' ' ' ASP . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.677 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.464 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD12 ' HE3' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HB2' ' A' ' 19' ' ' MET . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.656 HD23 HD23 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.516 ' HE3' HD12 ' B' ' 7' ' ' LEU . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.574 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' HG ' HD12 ' A' ' 21' ' ' LEU . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.587 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.639 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.633 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 4.3 tp60 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.74 73.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.64 86.21 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.75 49.16 1.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.274 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' B' ' 3' ' ' ASP . 8.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.502 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 -76.06 20.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.445 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 1' ' ' ASP . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.516 HD12 ' HE3' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.677 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.551 ' O ' ' HB2' ' B' ' 19' ' ' MET . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.551 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.648 HD23 HD23 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.518 ' HE3' HD12 ' A' ' 7' ' ' LEU . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.572 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.434 ' HG ' HD12 ' B' ' 21' ' ' LEU . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.611 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.93 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 4.2 tp60 -66.83 -23.2 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.82 72.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.273 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.3 tp -132.61 86.2 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.68 49.13 1.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.274 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.462 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . 0.436 ' C ' ' H ' ' C' ' 3' ' ' ASP . 8.1 m-20 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.506 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 -76.13 20.7 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.44 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' C' ' 1' ' ' ASP . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.462 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.524 HD12 ' HE3' ' D' ' 22' ' ' LYS . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' C' ' 19' ' ' MET . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.541 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.656 HD23 HD23 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.512 ' HE3' HD12 ' D' ' 7' ' ' LEU . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.571 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' C' ' 21' ' ' LEU . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.591 ' HA ' ' HE3' ' C' ' 28' ' ' MET . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.639 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 4.3 tp60 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.7 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.6 tp -132.68 86.15 2.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.66 49.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.284 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.453 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' D' ' 3' ' ' ASP . 8.1 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 -76.18 20.8 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.404 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' D' ' 1' ' ' ASP . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.512 HD12 ' HE3' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.435 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' D' ' 19' ' ' MET . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.573 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.648 HD23 HD23 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.524 ' HE3' HD12 ' C' ' 7' ' ' LEU . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.571 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.437 ' HG ' HD12 ' D' ' 21' ' ' LEU . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.601 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.615 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.611 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.66 -31.97 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 4.2 tp60 -66.82 -23.17 66.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.855 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.76 72.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.29 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.1 tp -132.72 86.26 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.532 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.75 49.18 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.209 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.464 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -168.83 15.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.3 tt0 -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 HD21 HD21 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD22 HD22 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' B' ' 18' ' ' LEU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.599 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.504 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 30' ' ' LEU . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.598 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.672 HG13 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' HH ' HE21 ' A' ' 43' ' ' GLN . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.49 HE21 ' HH ' ' A' ' 39' ' ' TYR . 28.2 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 3.0 tp -54.84 -43.5 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mt -129.63 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.4 51.76 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.067 0.461 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.236 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.522 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -168.8 15.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.615 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.3 tt0 -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.46 HG21 HD12 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.679 HD22 HD22 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.493 ' HA ' HD11 ' A' ' 18' ' ' LEU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.594 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.503 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.471 HD23 HD11 ' B' ' 30' ' ' LEU . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.596 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.67 HG21 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 5.4 tp-100 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.603 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.504 ' HH ' HE21 ' B' ' 43' ' ' GLN . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.504 HE21 ' HH ' ' B' ' 39' ' ' TYR . 28.2 tt0 -78.32 -45.37 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.59 -21.67 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.045 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.456 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 3.0 tp -54.92 -43.4 73.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.456 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 42.3 mt -129.71 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.35 51.8 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 109.876 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.072 -0.965 . . . . 0.0 111.12 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 0.0 OUTLIER -168.75 15.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.684 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.615 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.475 HG21 HD12 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.506 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.502 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.461 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.678 HD22 HD22 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.475 ' HA ' HD11 ' D' ' 18' ' ' LEU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . 0.457 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.598 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.464 HD23 HD11 ' C' ' 30' ' ' LEU . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.599 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.59 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.672 HG21 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 5.4 tp-100 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.589 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.49 ' HH ' HE21 ' C' ' 43' ' ' GLN . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.49 HE21 ' HH ' ' C' ' 39' ' ' TYR . 28.2 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.448 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 3.0 tp -54.93 -43.43 73.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.448 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 42.3 mt -129.62 -71.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 51.8 9.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.104 0.478 . . . . 0.0 109.915 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.075 -0.965 . . . . 0.0 111.164 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.521 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 0.0 OUTLIER -168.8 15.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.615 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.462 HG21 HD12 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.684 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.497 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.501 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.595 HD21 HD21 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.525 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.471 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.679 HD22 HD22 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.492 ' HA ' HD11 ' C' ' 18' ' ' LEU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.446 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.502 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.469 HD23 HD11 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.594 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.603 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.67 HG13 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.504 ' HH ' HE21 ' D' ' 43' ' ' GLN . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.504 HE21 ' HH ' ' D' ' 39' ' ' TYR . 28.2 tt0 -78.3 -45.45 22.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.53 -21.71 62.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 3.0 tp -54.86 -43.45 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.016 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.458 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 42.4 mt -129.68 -71.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 51.81 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.458 . . . . 0.0 109.921 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.102 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.519 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 -165.46 13.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.65 ' HH ' ' HD3' ' B' ' 12' ' ' ARG . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.502 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 HD12 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.67 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.653 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.529 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD21 HD21 ' B' ' 18' ' ' LEU . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' HG ' HD23 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' NZ ' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.494 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD11 HD11 ' B' ' 18' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' HE2' ' C' ' 28' ' ' MET . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.557 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.661 HG21 HD23 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.594 ' HG ' HD11 ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG11 HD13 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' HH ' ' HZ1' ' C' ' 22' ' ' LYS . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 0.5 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp -55.21 -50.07 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.18 -74.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.737 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.86 35.45 24.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.059 0.457 . . . . 0.0 110.165 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.489 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 40.4 ptt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.653 ' HH ' ' HD3' ' A' ' 12' ' ' ARG . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.493 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.503 HG22 HD12 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.682 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.65 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.536 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 18' ' ' LEU . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.535 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.564 ' NZ ' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.485 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.498 HD11 HD11 ' A' ' 18' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.538 HD12 ' HE2' ' D' ' 28' ' ' MET . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.539 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.676 HD23 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.685 HG21 HD23 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.598 ' HG ' HD11 ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.47 HG11 HD13 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.561 ' HH ' ' HZ1' ' D' ' 22' ' ' LYS . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.575 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 0.5 OUTLIER -78.73 -42.17 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.85 -22.57 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 2.7 tp -55.18 -50.1 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.024 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.15 -74.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.73 35.49 24.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 110.246 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.498 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.341 -0.837 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.522 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.651 ' HH ' ' HD3' ' D' ' 12' ' ' ARG . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.498 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.603 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.5 HG22 HD12 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.663 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.648 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.535 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.549 HD21 HD21 ' D' ' 18' ' ' LEU . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.536 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.535 HD23 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.564 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.494 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.5 HD11 HD11 ' D' ' 18' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.557 HD12 ' HE2' ' A' ' 28' ' ' MET . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.552 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' HD11 ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.481 HG11 HD13 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.56 ' HH ' ' HZ1' ' A' ' 22' ' ' LYS . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.572 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp -55.18 -50.14 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.13 -74.54 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.819 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.71 35.47 24.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.074 0.464 . . . . 0.0 110.258 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.493 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.52 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 -165.5 13.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.663 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.648 ' HH ' ' HD3' ' C' ' 12' ' ' ARG . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.489 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.506 HG22 HD12 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.651 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.408 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.425 ' HE1' HD12 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.531 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.549 HD21 HD21 ' C' ' 18' ' ' LEU . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.529 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.575 ' NZ ' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.485 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.496 HD11 HD11 ' C' ' 18' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.539 HD12 ' HE2' ' B' ' 28' ' ' MET . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.538 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.685 HD23 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.676 HG21 HD23 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.458 HG11 HD13 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.555 ' HH ' ' HZ1' ' B' ' 22' ' ' LYS . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.564 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 0.5 OUTLIER -78.83 -42.12 28.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.86 -22.47 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 2.7 tp -55.33 -50.05 70.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.032 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.12 -74.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.769 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 35.52 24.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.502 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.549 0.214 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.2 pt-20 42.05 31.08 0.21 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.828 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.62 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 22' ' ' LYS . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.42 ' CG2' HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.674 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.564 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' B' ' 21' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' HG ' HD22 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' HE3' HD11 ' B' ' 7' ' ' LEU . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 18' ' ' LEU . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 24' ' ' SER . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.567 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.689 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' HH ' HE21 ' A' ' 43' ' ' GLN . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.576 HE21 ' HH ' ' A' ' 39' ' ' TYR . 32.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.74 -47.72 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.47 -69.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.539 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.59 34.37 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.91 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.563 0.22 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.446 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.2 pt-20 42.06 31.04 0.21 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.789 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.674 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.617 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.526 HD11 ' HE3' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.62 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.427 ' CG2' HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.557 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 21' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.566 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 7' ' ' LEU . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.579 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.515 HD11 HD12 ' A' ' 18' ' ' LEU . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' B' ' 24' ' ' SER . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.568 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.695 HG13 HG22 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.557 ' HH ' HE21 ' B' ' 43' ' ' GLN . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.557 HE21 ' HH ' ' B' ' 39' ' ' TYR . 32.3 tt0 -81.15 -41.19 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.85 -22.53 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.422 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.75 -47.64 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.58 -69.27 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.46 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.73 34.31 24.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.452 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.563 0.221 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.2 pt-20 42.05 31.06 0.21 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.788 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.419 ' CG2' HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.673 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.542 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' D' ' 21' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.551 HD22 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.519 ' HE3' HD11 ' D' ' 7' ' ' LEU . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.58 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.487 HD11 HD12 ' D' ' 18' ' ' LEU . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.509 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' C' ' 24' ' ' SER . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.569 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.689 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.579 ' HH ' HE21 ' C' ' 43' ' ' GLN . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.579 HE21 ' HH ' ' C' ' 39' ' ' TYR . 32.2 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.66 -47.76 76.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 87.2 mt -110.52 -69.2 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.7 34.34 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.592 0.234 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.445 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.2 pt-20 42.01 31.11 0.21 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.805 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.519 HD11 ' HE3' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.658 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.549 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' C' ' 21' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.57 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.566 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.528 ' HE3' HD11 ' C' ' 7' ' ' LEU . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.577 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.513 HD11 HD12 ' C' ' 18' ' ' LEU . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.513 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' D' ' 24' ' ' SER . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.575 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.695 HG22 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.437 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.558 ' HH ' HE21 ' D' ' 43' ' ' GLN . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.558 HE21 ' HH ' ' D' ' 39' ' ' TYR . 32.3 tt0 -81.1 -41.35 22.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.74 -22.54 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.72 -47.73 76.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.56 -69.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.467 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.61 34.32 24.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.043 0.449 . . . . 0.0 110.48 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.846 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.2 pt-20 -167.57 15.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.674 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.43 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.525 HD13 ' HD3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' HG3' ' B' ' 22' ' ' LYS . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' A' ' 19' ' ' MET . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD23 HD23 ' B' ' 18' ' ' LEU . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.635 HD22 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HD3' HD13 ' B' ' 7' ' ' LEU . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.476 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD13 HD11 ' B' ' 18' ' ' LEU . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 ' HE2' ' C' ' 28' ' ' MET . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE2' HD13 ' C' ' 27' ' ' LEU . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG22 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.718 HG22 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.548 HE22 ' HB3' ' D' ' 8' ' ' GLN . 58.3 tp60 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -49.94 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.23 98.79 4.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.503 HE22 ' HG3' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -89.59 33.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.53 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.2 pt-20 -167.44 15.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.436 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.447 HG23 ' HG3' ' A' ' 22' ' ' LYS . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.674 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.558 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' B' ' 19' ' ' MET . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 18' ' ' LEU . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.547 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.625 HD22 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.546 ' HZ3' ' N ' ' A' ' 8' ' ' GLN . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.475 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.446 HD13 HD11 ' A' ' 18' ' ' LEU . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.616 HD13 ' HE2' ' D' ' 28' ' ' MET . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE2' HD13 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.709 HD21 HG22 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.714 HG22 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.546 HE22 ' HB3' ' C' ' 8' ' ' GLN . 58.3 tp60 -87.22 -31.18 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 31.7 tp60 -64.53 -22.96 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.952 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -49.91 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.54 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 tp -132.23 98.67 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.508 HE22 ' HG3' ' B' ' 43' ' ' GLN . 0.7 OUTLIER -89.45 33.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.437 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.524 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.2 pt-20 -167.56 15.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.671 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.525 HD13 ' HD3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.445 HG23 ' HG3' ' D' ' 22' ' ' LYS . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.545 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' C' ' 19' ' ' MET . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.524 HD23 HD23 ' D' ' 18' ' ' LEU . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.635 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.541 ' HD3' HD13 ' D' ' 7' ' ' LEU . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.476 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.438 HD13 HD11 ' D' ' 18' ' ' LEU . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.611 HD13 ' HE2' ' A' ' 28' ' ' MET . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.607 ' HE2' HD13 ' A' ' 27' ' ' LEU . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.718 HD21 HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.717 HG22 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.542 HE22 ' HB3' ' B' ' 8' ' ' GLN . 58.4 tp60 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -49.94 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.28 98.76 4.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.498 HE22 ' HG3' ' C' ' 43' ' ' GLN . 0.7 OUTLIER -89.6 33.38 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 68.1 mtp180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.526 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.2 pt-20 -167.51 15.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.435 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.541 HD13 ' HD3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.448 HG23 ' HG3' ' C' ' 22' ' ' LYS . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.671 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.545 ' O ' ' HB2' ' D' ' 19' ' ' MET . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.524 HD23 HD23 ' C' ' 18' ' ' LEU . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.545 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.625 ' HG ' HD22 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.544 ' HZ3' ' N ' ' C' ' 8' ' ' GLN . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.475 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.447 HD13 HD11 ' C' ' 18' ' ' LEU . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.611 HD13 ' HE2' ' B' ' 28' ' ' MET . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.714 HD21 HG22 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.709 HG22 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.44 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.527 HE22 ' HB3' ' A' ' 8' ' ' GLN . 58.4 tp60 -87.22 -31.17 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 31.7 tp60 -64.59 -22.87 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.927 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -49.92 71.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.515 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 32.7 tp -132.21 98.69 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.504 HE22 ' HG3' ' D' ' 43' ' ' GLN . 0.7 OUTLIER -89.57 33.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -170.34 16.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.675 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.445 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD11 ' HD2' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.655 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' MET . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD2' HD22 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HD22 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.592 ' HD2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.643 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG3' HD22 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' HD21 ' A' ' 30' ' ' LEU . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.646 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.704 HG21 HD22 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 18.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG11 HD13 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.568 ' HG2' HE22 ' A' ' 47' ' ' GLN . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -31.41 61.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD12 ' OE1' ' D' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.568 HE22 ' HG2' ' A' ' 43' ' ' GLN . 0.9 OUTLIER 62.97 21.34 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.435 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 -170.39 16.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.578 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.446 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.592 HD11 ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.58 ' HG2' HG23 ' A' ' 4' ' ' THR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.675 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.509 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.501 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' B' ' 19' ' ' MET . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.583 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.577 ' HE3' ' NZ ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.441 ' HD2' HD22 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.611 HD22 HD22 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.577 ' NZ ' ' HE3' ' B' ' 19' ' ' MET . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.647 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.497 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.48 ' O ' HD21 ' B' ' 30' ' ' LEU . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.651 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.688 HD22 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.689 HG21 HD22 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.535 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.434 HG11 HD13 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.557 ' HG2' HE22 ' B' ' 47' ' ' GLN . 28.5 tt0 -80.48 -23.73 39.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.46 -22.53 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.567 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -31.42 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.724 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.473 HD12 ' OE1' ' C' ' 8' ' ' GLN . 0.6 OUTLIER -121.81 -67.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.206 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.56 HE21 ' HZ3' ' D' ' 22' ' ' LYS . 0.9 OUTLIER 63.12 21.28 12.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.986 -1.007 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -170.4 16.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.669 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.459 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.581 HD11 ' HD2' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.655 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.496 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' C' ' 19' ' ' MET . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.586 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.573 ' HE3' ' NZ ' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.444 ' HD2' HD22 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.61 HD22 HD22 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.592 ' HD2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.646 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.503 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HG3' HD22 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.482 ' O ' HD21 ' C' ' 30' ' ' LEU . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.704 HG21 HD22 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 18.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.57 ' HG2' HE22 ' C' ' 47' ' ' GLN . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -31.39 61.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.478 HD12 ' OE1' ' B' ' 8' ' ' GLN . 0.6 OUTLIER -121.88 -67.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.211 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.57 HE22 ' HG2' ' C' ' 43' ' ' GLN . 0.9 OUTLIER 63.05 21.24 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.36 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.446 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 14.4 ptm180 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -170.43 16.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.452 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.592 HD11 ' HD2' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.578 ' HG2' HG23 ' C' ' 4' ' ' THR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.669 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.51 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.503 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' D' ' 19' ' ' MET . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.586 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.575 ' HE3' ' NZ ' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.442 ' HD2' HD22 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.611 HD22 HD22 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.581 ' HD2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.651 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.496 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.449 ' HG3' HD22 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.477 ' O ' HD21 ' D' ' 30' ' ' LEU . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.647 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.689 HD22 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.688 HG21 HD22 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.535 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.425 HG11 HD13 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.556 ' HG2' HE22 ' D' ' 47' ' ' GLN . 28.5 tt0 -80.57 -23.72 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -67.57 -22.49 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.523 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -31.34 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.472 HD12 ' OE1' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.211 -179.565 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.56 HE21 ' HZ3' ' B' ' 22' ' ' LYS . 0.9 OUTLIER 62.99 21.33 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.38 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.445 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 -168.47 24.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.626 HD11 ' NZ ' ' B' ' 22' ' ' LYS . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG2' HD12 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.614 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.412 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' B' ' 18' ' ' LEU . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.543 ' HE2' ' HZ1' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.546 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.625 ' NZ ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 HD13 HD11 ' B' ' 18' ' ' LEU . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 ' HE2' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 24' ' ' SER . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG21 HD22 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.6 tp -134.85 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.641 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.31 44.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 -168.45 24.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.625 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.613 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 18' ' ' LEU . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HZ1' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.55 ' HB3' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.626 ' NZ ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.517 HD13 HD11 ' A' ' 18' ' ' LEU . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.523 HD12 ' HE2' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' B' ' 24' ' ' SER . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.647 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.645 HG21 HD22 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.75 -29.32 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.57 -50.0 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.405 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.8 tp -134.85 96.33 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.723 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.13 44.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 98.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.462 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 -168.38 24.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.627 HD11 ' NZ ' ' D' ' 22' ' ' LYS . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.538 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.627 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' D' ' 18' ' ' LEU . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.54 ' HE2' ' HZ1' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.546 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.549 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.517 HD13 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.549 ' HG3' ' O ' ' C' ' 24' ' ' SER . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.635 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 9.7 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -50.04 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.79 96.42 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.758 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.14 44.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.464 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 -168.49 24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.627 ' HH ' ' HD3' ' C' ' 12' ' ' ARG . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.423 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.627 HD11 ' NZ ' ' C' ' 22' ' ' LYS . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.622 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.519 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.554 HD23 HD23 ' C' ' 18' ' ' LEU . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.551 ' HE2' ' HZ1' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.549 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.627 ' NZ ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.526 HD13 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.521 HD12 ' HE2' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' D' ' 24' ' ' SER . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.645 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.647 HG21 HD22 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 9.7 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.545 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.77 -29.31 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 6.5 tp-100 -63.88 -24.98 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.87 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -50.08 72.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.394 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.86 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.71 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.2 44.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.566 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -167.18 13.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.598 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.595 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.729 HD13 ' HZ1' ' B' ' 22' ' ' LYS . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.688 ' H ' ' HZ3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG23 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 HD11 ' HG ' ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.725 ' HZ1' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.653 HD11 HD11 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.59 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.59 ' HE3' HD12 ' C' ' 27' ' ' LEU . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.698 HD22 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.697 HG21 HD22 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.571 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.435 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' A' ' 46' ' ' LEU . 12.6 tp -54.35 -48.81 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 HD22 ' HG ' ' A' ' 45' ' ' LEU . 2.9 pp -159.62 122.77 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.295 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' D' ' 7' ' ' LEU . 28.7 tp60 -99.86 61.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.44 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.604 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -167.21 13.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.599 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.725 HD13 ' HZ1' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.666 ' H ' ' HZ3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.455 HG23 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.553 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.729 ' HZ1' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.584 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.593 ' HE3' HD12 ' D' ' 27' ' ' LEU . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.712 HD22 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.71 HG21 HD22 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.576 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.45 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -67.14 -21.43 65.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' B' ' 46' ' ' LEU . 12.6 tp -54.36 -48.79 71.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.456 HD22 ' HG ' ' B' ' 45' ' ' LEU . 2.9 pp -159.6 122.68 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.294 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.472 HE22 ' NZ ' ' D' ' 22' ' ' LYS . 28.4 tp60 -99.75 61.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.44 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.587 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.498 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -167.2 13.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.601 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.587 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.728 HD13 ' HZ1' ' D' ' 22' ' ' LYS . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.689 ' H ' ' HZ3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.441 HG23 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.513 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.713 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.521 ' HG ' HD11 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.725 ' HZ1' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.653 HD11 HD11 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.59 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.59 ' HE3' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.698 HG21 HD22 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.439 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.458 ' HG ' HD22 ' C' ' 46' ' ' LEU . 12.6 tp -54.43 -48.82 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.458 HD22 ' HG ' ' C' ' 45' ' ' LEU . 2.9 pp -159.56 122.82 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 111.321 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 7' ' ' LEU . 28.5 tp60 -99.85 61.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.422 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.608 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.503 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -167.27 12.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.604 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.725 HD13 ' HZ1' ' C' ' 22' ' ' LYS . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.665 ' H ' ' HZ3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.456 HG23 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.547 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.713 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.728 ' HZ1' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.45 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.668 HD11 HD11 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.593 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.584 ' HE3' HD12 ' B' ' 27' ' ' LEU . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.71 HD22 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.712 HG21 HD22 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -29.66 32.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -67.17 -21.38 65.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.111 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.456 ' HG ' HD22 ' D' ' 46' ' ' LEU . 12.6 tp -54.4 -48.82 71.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.456 HD22 ' HG ' ' D' ' 45' ' ' LEU . 2.9 pp -159.64 122.72 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.472 ' NE2' HD12 ' A' ' 7' ' ' LEU . 28.5 tp60 -99.82 61.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.415 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.595 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 95.9 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.496 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -164.73 20.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.635 HD13 ' HZ1' ' B' ' 22' ' ' LYS . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.662 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.511 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' A' ' 19' ' ' MET . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD13 ' HG ' ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.65 ' HZ1' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.604 HD11 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE3' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.675 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.566 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' CD ' ' HE3' ' C' ' 19' ' ' MET . 25.0 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp -54.9 -47.97 73.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HG ' HD21 ' A' ' 45' ' ' LEU . 74.9 mt -119.38 -76.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.29 15.38 6.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.214 0.531 . . . . 0.0 110.045 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.028 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.497 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 -164.8 21.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.65 HD13 ' HZ1' ' A' ' 22' ' ' LYS . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' B' ' 19' ' ' MET . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.561 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.583 ' HG ' HD13 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.635 ' HZ1' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.556 HD12 ' HE3' ' D' ' 28' ' ' MET . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.553 ' HE3' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.582 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.672 HG22 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.563 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . 0.42 ' CD ' ' HE3' ' D' ' 19' ' ' MET . 25.0 tt0 -78.41 -48.85 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.49 -21.43 37.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 1.4 tp -54.89 -48.06 73.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.422 ' HG ' HD21 ' B' ' 45' ' ' LEU . 74.8 mt -119.38 -76.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.26 15.37 6.37 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.028 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.496 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -164.78 21.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.635 HD13 ' HZ1' ' D' ' 22' ' ' LYS . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.55 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.556 ' O ' ' HB2' ' C' ' 19' ' ' MET . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.574 ' HG ' HD13 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.652 ' HZ1' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.6 HD11 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.559 HD12 ' HE3' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.556 ' HE3' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.564 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.675 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.567 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.562 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . 0.54 ' HA ' HE21 ' C' ' 41' ' ' GLN . 0.0 OUTLIER -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . 0.432 ' CD ' ' HE3' ' A' ' 19' ' ' MET . 25.0 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp -54.94 -48.0 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.418 ' HG ' HD21 ' C' ' 45' ' ' LEU . 75.1 mt -119.4 -76.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.24 15.46 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.157 0.503 . . . . 0.0 110.03 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.982 -179.792 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.495 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -164.78 21.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.652 HD13 ' HZ1' ' C' ' 22' ' ' LYS . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' D' ' 19' ' ' MET . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.698 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.56 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.583 HD13 ' HG ' ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.635 ' HZ1' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.62 HD11 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.553 HD12 ' HE3' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.556 ' HE3' HD12 ' B' ' 27' ' ' LEU . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.58 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.672 HG13 HG22 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.563 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' D' ' 41' ' ' GLN . 0.0 OUTLIER -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . 0.418 ' CD ' ' HE3' ' B' ' 19' ' ' MET . 24.9 tt0 -78.33 -48.9 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.44 -21.53 37.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.177 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 1.4 tp -54.91 -48.01 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.204 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . 0.422 ' HG ' HD21 ' D' ' 45' ' ' LEU . 74.7 mt -119.37 -76.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.33 15.34 6.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.027 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 13.1 pt-20 -167.16 17.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.628 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.56 HD13 ' HD3' ' B' ' 22' ' ' LYS . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG22 ' HG3' ' B' ' 22' ' ' LYS . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.657 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.548 ' HD3' ' HH ' ' B' ' 5' ' ' TYR . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.554 ' O ' ' HB2' ' A' ' 19' ' ' MET . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 HD21 HD21 ' B' ' 18' ' ' LEU . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HG ' HD23 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HD3' HD13 ' B' ' 7' ' ' LEU . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.441 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 HD11 ' B' ' 18' ' ' LEU . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' HB2' ' HH ' ' C' ' 39' ' ' TYR . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' C' ' 28' ' ' MET . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.601 ' HE2' HD11 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' CD1' ' HG ' ' C' ' 35' ' ' LEU . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.688 HG22 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -45.19 77.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.13 -70.63 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.421 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.432 HE21 ' NZ ' ' C' ' 22' ' ' LYS . 0.0 OUTLIER 57.1 39.54 29.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.12 0.486 . . . . 0.0 110.355 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.886 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' B' ' 5' ' ' TYR . 13.1 pt-20 -167.1 17.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.657 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.553 HD13 ' HD3' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.44 HG22 ' HG3' ' A' ' 22' ' ' LYS . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.676 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.533 ' HD3' ' HH ' ' A' ' 5' ' ' TYR . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' B' ' 19' ' ' MET . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.555 HD21 HD21 ' A' ' 18' ' ' LEU . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.544 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.56 ' HD3' HD13 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.443 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 18' ' ' LEU . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' HH ' ' D' ' 39' ' ' TYR . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.603 HD11 ' HE2' ' D' ' 28' ' ' MET . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.604 ' HE2' HD11 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' D' ' 35' ' ' LEU . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.665 HG13 HG22 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.49 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -81.99 -35.35 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -64.32 -22.47 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.171 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.6 -45.28 77.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.022 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.03 -70.6 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.437 HE21 ' NZ ' ' D' ' 22' ' ' LYS . 0.0 OUTLIER 57.13 39.52 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.128 0.49 . . . . 0.0 110.397 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.5 ' HA ' ' HH ' ' C' ' 5' ' ' TYR . 13.1 pt-20 -167.24 17.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.42 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.56 HD13 ' HD3' ' D' ' 22' ' ' LYS . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' D' ' 22' ' ' LYS . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.55 ' HD3' ' HH ' ' D' ' 5' ' ' TYR . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' C' ' 19' ' ' MET . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.554 HD21 HD21 ' D' ' 18' ' ' LEU . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.612 HD23 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.549 ' HD3' HD13 ' D' ' 7' ' ' LEU . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.441 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . 0.45 HD12 HD11 ' D' ' 18' ' ' LEU . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.486 ' HB2' ' HH ' ' A' ' 39' ' ' TYR . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.601 HD11 ' HE2' ' A' ' 28' ' ' MET . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.595 ' HE2' HD11 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.586 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.591 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.489 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.53 -45.29 77.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.0 -70.62 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.409 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . 0.429 HE21 ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 57.12 39.49 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.116 0.484 . . . . 0.0 110.36 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.731 0.301 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . 0.497 ' HA ' ' HH ' ' D' ' 5' ' ' TYR . 13.1 pt-20 -167.19 17.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.66 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.423 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.549 HD13 ' HD3' ' C' ' 22' ' ' LYS . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 22' ' ' LYS . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . 0.54 ' HD3' ' HH ' ' C' ' 5' ' ' TYR . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' D' ' 19' ' ' MET . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.554 HD21 HD21 ' C' ' 18' ' ' LEU . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.542 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.607 HD23 ' HG ' ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.56 ' HD3' HD13 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.443 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . 0.455 HD12 HD11 ' C' ' 18' ' ' LEU . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.49 ' HB2' ' HH ' ' B' ' 39' ' ' TYR . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.604 HD11 ' HE2' ' B' ' 28' ' ' MET . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.603 ' HE2' HD11 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' B' ' 35' ' ' LEU . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.665 HG22 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.46 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.487 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -82.0 -35.38 28.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.28 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.146 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.55 -45.16 77.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.022 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.14 -70.67 0.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.366 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . 0.436 HE21 ' NZ ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER 57.17 39.46 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.097 0.475 . . . . 0.0 110.343 -179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.911 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.434 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' B' ' 19' ' ' MET . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.677 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HB2' ' A' ' 19' ' ' MET . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 HD21 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.522 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HE1' ' C' ' 28' ' ' MET . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.612 ' HE1' HD12 ' C' ' 27' ' ' LEU . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD23 HG23 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.714 HG23 HD23 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 9.5 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' HH ' ' HB2' ' C' ' 26' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.05 -49.74 72.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.7 tp -139.52 87.47 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.51 47.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.2 21.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.677 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.436 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 19' ' ' MET . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.625 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.571 HG23 HD11 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' B' ' 19' ' ' MET . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.577 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.649 HD21 HD21 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.523 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.608 HD12 ' HE1' ' D' ' 28' ' ' MET . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' MET . . . . . 0.603 ' HE1' HD12 ' D' ' 27' ' ' LEU . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.716 HD23 HG23 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.718 HG23 HD23 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 9.5 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.588 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.436 ' HH ' ' HB2' ' D' ' 26' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -44.22 26.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.36 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.406 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.12 -49.76 72.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.213 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 tp -139.45 87.48 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.58 47.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.19 21.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.429 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' D' ' 19' ' ' MET . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' VAL . . . . . 0.56 HG23 HD11 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.678 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' C' ' 19' ' ' MET . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . 0.578 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' MET . . . . . 0.517 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . 0.631 HD21 HD21 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.522 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE1' ' A' ' 28' ' ' MET . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' MET . . . . . 0.61 ' HE1' HD12 ' A' ' 27' ' ' LEU . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.714 HD23 HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . 0.71 HG23 HD23 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . 0.585 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' TYR . . . . . 0.444 ' HH ' ' HB2' ' A' ' 26' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.09 -49.81 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 51.8 tp -139.46 87.47 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.665 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.54 47.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.461 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.432 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' C' ' 19' ' ' MET . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' VAL . . . . . 0.573 HG23 HD11 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' D' ' 19' ' ' MET . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . 0.578 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' MET . . . . . 0.509 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' LEU . . . . . 0.649 HD21 HD21 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . 0.4 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' SER . . . . . 0.523 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' LEU . . . . . 0.603 HD12 ' HE1' ' B' ' 28' ' ' MET . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' MET . . . . . 0.608 ' HE1' HD12 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.718 HD23 HG23 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . 0.716 HG23 HD23 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' GLN . . . . . 0.589 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' LEU . . . . . 0.586 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' TYR . . . . . 0.438 ' HH ' ' HB2' ' B' ' 26' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -44.19 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.17 -23.36 65.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.14 -49.74 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.225 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.52 87.43 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.52 47.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.46 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 97.4 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.675 0.274 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG21 HD13 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' HD12 ' A' ' 18' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.752 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.711 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.711 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.742 HD13 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.74 ' SD ' HD13 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.823 HD21 HG11 ' C' ' 31' ' ' VAL . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.587 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 HD11 ' C' ' 27' ' ' LEU . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.419 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 7.4 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 1.8 tp-100 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.021 0 CA-C-O 120.654 0.264 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.734 HG21 HD13 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.507 ' OD1' HD12 ' B' ' 18' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.699 ' HE1' ' HE3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.753 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.699 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.754 ' SD ' HD13 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' D' ' 31' ' ' VAL . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.443 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 7.4 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.817 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.529 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.503 ' OD1' HD12 ' C' ' 18' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.753 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.714 ' HE1' ' HE3' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.714 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.74 HD13 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.82 HD21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.585 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.439 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 7.4 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 1.8 tp-100 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.691 0.282 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.511 ' OD1' HD12 ' D' ' 18' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.817 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.705 ' HE1' ' HE3' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.752 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.705 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.758 ' SD ' HD13 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' B' ' 31' ' ' VAL . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' B' ' 27' ' ' LEU . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.438 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 7.4 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 18' ' ' LEU . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' CG ' HG13 ' A' ' 9' ' ' VAL . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.66 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 20' ' ' LYS . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 30' ' ' LEU . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' C' ' 24' ' ' SER . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.666 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.525 HG21 HD22 ' B' ' 18' ' ' LEU . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.408 ' CG ' HG13 ' B' ' 9' ' ' VAL . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.653 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 30' ' ' LEU . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.409 ' HE2' HD12 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.929 HG21 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' C' ' 18' ' ' LEU . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.415 ' CG ' HG13 ' C' ' 9' ' ' VAL . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.662 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' D' ' 8' ' ' GLN . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.511 HD12 HD13 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' C' ' 30' ' ' LEU . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' D' ' 18' ' ' LEU . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' D' ' 9' ' ' VAL . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.654 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 8' ' ' GLN . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.469 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' D' ' 30' ' ' LEU . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.929 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.229 -0.015 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 18' ' ' LEU . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' C' ' 21' ' ' LEU . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.435 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HG3' ' ND2' ' B' ' 14' ' ' ASN . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' MET . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.868 HD21 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.874 HG21 HD21 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 HD11 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 18' ' ' LEU . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' D' ' 21' ' ' LEU . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 28' ' ' MET . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.879 HD21 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.876 HG21 HD21 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PRO . . . . . 0.401 ' HB2' HD12 ' B' ' 35' ' ' LEU . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.704 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.826 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.68 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.515 HG21 HD22 ' C' ' 18' ' ' LEU . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.691 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.834 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.468 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.436 ' O ' ' HG2' ' C' ' 28' ' ' MET . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.73 0.3 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.691 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.834 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.528 HG21 HD22 ' D' ' 18' ' ' LEU . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.704 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.826 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.551 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' B' ' 21' ' ' LEU . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.496 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.646 HD12 HD13 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' D' ' 28' ' ' MET . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.876 HD21 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.879 HG21 HD21 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.802 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' B' ' 9' ' ' VAL . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.65 ' HE3' HD12 ' C' ' 27' ' ' LEU . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.601 HG13 HD11 ' C' ' 27' ' ' LEU . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.802 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' B' ' 18' ' ' LEU . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' B' ' 9' ' ' VAL . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 9' ' ' VAL . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.676 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.667 ' HE3' HD12 ' D' ' 27' ' ' LEU . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.87 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.88 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.611 HG13 HD11 ' D' ' 27' ' ' LEU . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.033 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.739 HG21 HD13 ' C' ' 18' ' ' LEU . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.739 HD13 HG21 ' C' ' 9' ' ' VAL . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' D' ' 9' ' ' VAL . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.65 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.652 ' HE3' HD12 ' A' ' 27' ' ' LEU . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.595 HG13 HD11 ' A' ' 27' ' ' LEU . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' C' ' 9' ' ' VAL . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 27' ' ' LEU . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.88 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.87 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.723 0.297 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.751 HG21 HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.623 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.524 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.59 ' HE3' HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD11 HG13 ' C' ' 36' ' ' VAL . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.626 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.006 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.012 HG21 HD21 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG13 HD11 ' C' ' 27' ' ' LEU . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.509 ' HG3' ' HZ2' ' C' ' 22' ' ' LYS . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.706 0.289 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.505 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.593 ' HE3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' D' ' 36' ' ' VAL . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.994 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.995 HG21 HD21 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' D' ' 27' ' ' LEU . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.475 ' CG ' ' HZ2' ' D' ' 22' ' ' LYS . 21.7 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.465 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.519 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.62 ' HG2' HD13 ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.588 ' HE3' HD12 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.626 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' VAL . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 1.006 HG21 HD21 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.606 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.481 HG13 HD11 ' A' ' 27' ' ' LEU . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.489 ' HG3' ' HZ2' ' A' ' 22' ' ' LYS . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.504 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.623 ' HG2' HD13 ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.594 ' HE3' HD12 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' B' ' 36' ' ' VAL . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.995 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.994 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 27' ' ' LEU . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.498 ' HG3' ' HZ2' ' B' ' 22' ' ' LYS . 21.7 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.68 0.276 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.812 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.783 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' OD1' HD22 ' B' ' 25' ' ' LEU . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HZ1' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' B' ' 14' ' ' ASN . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 HG13 ' C' ' 36' ' ' VAL . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.469 ' HE2' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.928 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.921 HG21 HD21 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG13 HD11 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.608 ' O ' HD23 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.709 ' HG2' ' HZ1' ' C' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 . . . . . 0 N--CA 1.459 -0.021 0 CA-C-O 120.648 0.261 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.786 HG21 HD13 ' B' ' 18' ' ' LEU . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' A' ' 25' ' ' LEU . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.812 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.502 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HZ1' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.51 HD22 ' OD1' ' A' ' 14' ' ' ASN . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.606 HD11 HG13 ' D' ' 36' ' ' VAL . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.477 ' HE2' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.907 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.648 ' HG2' ' HZ1' ' D' ' 22' ' ' LYS . 7.1 tp-100 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.785 HG21 HD13 ' C' ' 18' ' ' LEU . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' D' ' 25' ' ' LEU . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.516 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HZ1' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.487 HD22 ' OD1' ' D' ' 14' ' ' ASN . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.608 HD11 HG13 ' A' ' 36' ' ' VAL . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.921 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.698 ' HG2' ' HZ1' ' A' ' 22' ' ' LYS . 7.1 tp-100 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.666 0.27 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.787 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.487 ' OD1' HD22 ' C' ' 25' ' ' LEU . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.499 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.648 ' HZ1' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' C' ' 14' ' ' ASN . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.609 HD11 HG13 ' B' ' 36' ' ' VAL . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE2' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.907 HG21 HD21 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.641 ' HG2' ' HZ1' ' B' ' 22' ' ' LYS . 7.1 tp-100 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.668 0.27 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.2 tt0 -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 18' ' ' LEU . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 6.3 tp-100 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.028 0 CA-C-O 120.638 0.256 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.2 tt0 -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' B' ' 18' ' ' LEU . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.515 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' A' ' 18' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.622 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.568 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.92 HG21 HD21 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.582 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 6.3 tp-100 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.525 -0.008 0 CA-C-O 120.688 0.28 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' C' ' 18' ' ' LEU . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.601 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.508 HD23 HD13 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.507 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 6.3 tp-100 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.664 0.269 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.79 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.2 tt0 -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' D' ' 18' ' ' LEU . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' C' ' 18' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.619 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.568 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.92 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.514 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 6.3 tp-100 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.614 0.245 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.807 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' A' ' 9' ' ' VAL . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' B' ' 8' ' ' GLN . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 HD13 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 28' ' ' MET . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 HD11 ' C' ' 27' ' ' LEU . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.603 0.239 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.586 HG21 HD22 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.405 ' CG ' HG13 ' B' ' 9' ' ' VAL . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.807 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 8' ' ' GLN . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' D' ' 36' ' ' VAL . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.43 ' HE2' HD12 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' D' ' 27' ' ' LEU . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.474 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.599 HG21 HD22 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' C' ' 9' ' ' VAL . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.454 HD11 HG13 ' A' ' 36' ' ' VAL . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.424 ' O ' ' HG2' ' C' ' 28' ' ' MET . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.611 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.449 HG13 HD11 ' A' ' 27' ' ' LEU . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.679 0.275 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.587 HG21 HD22 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.404 ' CG ' HG13 ' D' ' 9' ' ' VAL . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 8' ' ' GLN . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.474 HD12 HD13 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' B' ' 36' ' ' VAL . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.412 ' HE2' HD12 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' B' ' 27' ' ' LEU . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.472 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.665 0.269 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' B' ' 7' ' ' LEU . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.576 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.424 ' HE2' HD12 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.719 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' ARG . 14.7 mm100 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.711 0.291 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.729 HG21 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.838 ' CE1' HD13 ' A' ' 7' ' ' LEU . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.564 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.729 HD13 HG21 ' B' ' 9' ' ' VAL . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.568 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.599 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.824 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.441 HD12 HD22 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.459 HD12 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.462 ' HE2' HD12 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.754 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.681 0.277 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.73 HG21 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' D' ' 7' ' ' LEU . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.568 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.73 HD13 HG21 ' C' ' 9' ' ' VAL . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.581 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.564 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.719 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.427 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.439 ' HE2' HD12 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' C' ' 44' ' ' GLN . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.734 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 40' ' ' ARG . 14.7 mm100 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.704 0.288 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.725 HG21 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.84 ' CE1' HD13 ' C' ' 7' ' ' LEU . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.725 HD13 HG21 ' D' ' 9' ' ' VAL . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.599 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.754 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.437 HD12 HD22 ' D' ' 21' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.459 ' HE2' HD12 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.824 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.573 0.225 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.459 ' O ' HD12 ' A' ' 18' ' ' LEU . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' D' ' 17' ' ' ILE . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.6 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HD2' HD21 ' C' ' 25' ' ' LEU . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' C' ' 20' ' ' LYS . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.96 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.1 tp-100 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.597 0.236 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' B' ' 18' ' ' LEU . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' C' ' 17' ' ' ILE . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.616 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.417 ' HD2' HD21 ' D' ' 25' ' ' LEU . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.425 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.943 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.642 0.258 . . . . 0.0 111.44 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.463 ' O ' HD12 ' C' ' 18' ' ' LEU . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' B' ' 17' ' ' ILE . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.429 ' HD2' HD21 ' A' ' 25' ' ' LEU . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.592 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 20' ' ' LYS . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.957 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.96 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 2.2 tp-100 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.595 0.236 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.454 ' O ' HD12 ' D' ' 18' ' ' LEU . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' A' ' 17' ' ' ILE . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.618 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.414 ' HD2' HD21 ' B' ' 25' ' ' LEU . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 14' ' ' ASN . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.464 ' CB ' ' HE1' ' B' ' 28' ' ' MET . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.943 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.3 tt0 -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.591 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CB ' ' HE1' ' C' ' 28' ' ' MET . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.814 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 20.3 tp60 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.716 0.293 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.3 tt0 -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.433 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.577 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.619 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.84 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 20.2 tp60 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.613 HG21 HD13 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.593 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' C' ' 26' ' ' GLU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.474 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.465 HD23 HD13 ' C' ' 30' ' ' LEU . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.813 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 20.3 tp60 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.596 HG21 HD13 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.583 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.5 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' D' ' 26' ' ' GLU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.472 HD23 HD13 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.619 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.842 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 20.4 tp60 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.569 0.223 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.795 HG21 HD13 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' OE1' ' HE2' ' D' ' 20' ' ' LYS . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.576 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 9' ' ' VAL . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.505 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.724 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 21' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.545 HD11 HG13 ' C' ' 36' ' ' VAL . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 53.5 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.68 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.2 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.438 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.632 0.253 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.802 HG21 HD13 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.405 ' OE1' ' HE2' ' C' ' 20' ' ' LYS . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.802 HD13 HG21 ' B' ' 9' ' ' VAL . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.489 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.577 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.767 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.499 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 21' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' D' ' 36' ' ' VAL . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.965 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.963 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 53.5 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.547 HG13 HD11 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.6 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.604 0.24 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.798 HG21 HD13 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.577 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.798 HD13 HG21 ' C' ' 9' ' ' VAL . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.509 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.68 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.506 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.473 HD12 HD22 ' C' ' 21' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 36' ' ' VAL . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 53.5 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.724 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.647 0.26 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.8 HG21 HD13 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.42 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.8 HD13 HG21 ' D' ' 9' ' ' VAL . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.497 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.576 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.6 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.499 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' D' ' 21' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.547 HD11 HG13 ' B' ' 36' ' ' VAL . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.963 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.965 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 53.5 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.767 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.715 HG21 HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD13 ' B' ' 25' ' ' LEU . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.797 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 18' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.617 ' HE3' HD12 ' C' ' 27' ' ' LEU . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG13 HD11 ' C' ' 27' ' ' LEU . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.736 0.303 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.797 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 18' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.59 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.638 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 14' ' ' ASN . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' D' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.767 HD21 HG11 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.546 HG13 HD11 ' D' ' 27' ' ' LEU . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.409 ' HA ' HD13 ' D' ' 25' ' ' LEU . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.617 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.596 ' HE3' HD12 ' A' ' 27' ' ' LEU . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 27' ' ' LEU . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.721 HG21 HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' C' ' 14' ' ' ASN . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.612 ' HE3' HD12 ' B' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.766 HD21 HG11 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.536 HG13 HD11 ' B' ' 27' ' ' LEU . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.525 -0.011 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.66 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 18' ' ' LEU . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.401 ' OD1' HD22 ' B' ' 25' ' ' LEU . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 9' ' ' VAL . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' HG22 ' B' ' 9' ' ' VAL . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.912 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.914 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.425 HG13 HD11 ' C' ' 27' ' ' LEU . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.725 0.297 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.423 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' B' ' 18' ' ' LEU . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 12' ' ' ARG . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' A' ' 7' ' ' LEU . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.706 HD13 HG21 ' B' ' 9' ' ' VAL . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.599 ' HG3' HG22 ' A' ' 9' ' ' VAL . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.401 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.931 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.939 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.42 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.748 0.308 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' C' ' 18' ' ' LEU . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.411 ' OD1' HD22 ' D' ' 25' ' ' LEU . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.689 HD13 HG21 ' C' ' 9' ' ' VAL . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.67 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.58 ' HG3' HG22 ' D' ' 9' ' ' VAL . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.404 HD22 ' OD1' ' D' ' 14' ' ' ASN . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' C' ' 28' ' ' MET . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.914 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.912 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 27' ' ' LEU . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.701 0.286 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' D' ' 18' ' ' LEU . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.404 ' OD1' HD22 ' C' ' 25' ' ' LEU . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.705 HD13 HG21 ' D' ' 9' ' ' VAL . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.653 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' C' ' 9' ' ' VAL . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.411 HD22 ' OD1' ' C' ' 14' ' ' ASN . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.939 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.931 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 27' ' ' LEU . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.055 0 CA-C-O 120.646 0.26 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 18' ' ' LEU . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' A' ' 18' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' B' ' 7' ' ' LEU . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.55 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.64 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG3' HD21 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD11 HG13 ' C' ' 36' ' ' VAL . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.016 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.018 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 78.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.228 -0.052 0 CA-C-O 120.648 0.261 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.703 HG21 HD13 ' B' ' 18' ' ' LEU . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' B' ' 18' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 7' ' ' LEU . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' C' ' 17' ' ' ILE . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.59 ' HZ2' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HD21 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.554 HD11 HG13 ' D' ' 36' ' ' VAL . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 78.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.555 HG13 HD11 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.712 HG21 HD13 ' C' ' 18' ' ' LEU . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' C' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' D' ' 7' ' ' LEU . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.526 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 36' ' ' VAL . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.64 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 1.016 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 78.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . 0.5 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 CA--C 1.524 -0.049 0 CA-C-O 120.589 0.233 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.698 HG21 HD13 ' D' ' 18' ' ' LEU . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' D' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.859 ' CE1' HD13 ' C' ' 7' ' ' LEU . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 17' ' ' ILE . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.473 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.592 ' HZ2' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.645 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.517 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.51 ' HG3' HD21 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.555 HD11 HG13 ' B' ' 36' ' ' VAL . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 78.5 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' GLN . . . . . 0.507 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' B' ' 9' ' ' VAL . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.562 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.599 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' C' ' 27' ' ' LEU . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.6 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' C' ' 27' ' ' LEU . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 34.5 tp60 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.742 HG21 HD13 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.423 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.518 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' D' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.594 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.592 ' HE3' HD12 ' D' ' 27' ' ' LEU . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.901 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.6 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' D' ' 27' ' ' LEU . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.596 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.405 HD12 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.599 ' HE3' HD12 ' A' ' 27' ' ' LEU . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.6 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 27' ' ' LEU . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 34.5 tp60 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.605 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.51 ' CG ' HG22 ' C' ' 9' ' ' VAL . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.406 HD12 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.594 ' HE3' HD12 ' B' ' 27' ' ' LEU . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.901 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.6 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.516 HG13 HD11 ' B' ' 27' ' ' LEU . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.032 0 CA-C-O 120.746 0.308 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.793 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 25' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.635 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' NZ ' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 HD13 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 53.2 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.0 tp-100 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.416 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.737 0.303 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.793 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG21 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.777 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 25' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.628 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' D' ' 28' ' ' MET . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' D' ' 24' ' ' SER . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.926 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 53.1 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.782 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.465 HG21 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 12' ' ' ARG . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.789 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.769 HD13 HD12 ' D' ' 25' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.632 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.579 ' NZ ' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.454 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.402 ' HE2' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 53.1 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 2.0 tp-100 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.687 0.279 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.789 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.481 HG21 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.782 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' C' ' 25' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.631 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 28' ' ' MET . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.769 HD12 HD13 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' B' ' 24' ' ' SER . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.926 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 53.1 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.593 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 14' ' ' ASN . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' CG ' HG13 ' A' ' 9' ' ' VAL . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.671 ' HE1' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.671 ' HE2' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD12 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE2' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.766 ' CD2' HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 HD11 ' C' ' 27' ' ' LEU . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.67 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.837 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' B' ' 14' ' ' ASN . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' B' ' 9' ' ' VAL . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.643 ' HE1' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.643 ' HE2' ' HE1' ' B' ' 19' ' ' MET . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD11 HG13 ' D' ' 36' ' ' VAL . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.515 ' HE2' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.763 ' CD2' HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.464 HG13 HD11 ' D' ' 27' ' ' LEU . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' GLU . . . . . 0.444 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.667 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' C' ' 14' ' ' ASN . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.688 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' HG13 ' C' ' 9' ' ' VAL . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.673 ' HE1' ' HE2' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.673 ' HE2' ' HE1' ' C' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.618 HD12 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.528 ' HE2' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 27' ' ' LEU . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' D' ' 14' ' ' ASN . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' D' ' 9' ' ' VAL . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.624 ' HE1' ' HE2' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.624 ' HE2' ' HE1' ' D' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.634 HD12 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' D' ' 28' ' ' MET . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.762 ' CD2' HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.467 HG13 HD11 ' B' ' 27' ' ' LEU . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.718 0.294 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 9' ' ' VAL . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.447 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 30' ' ' LEU . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HE2' HD12 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.795 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG13 HD11 ' C' ' 27' ' ' LEU . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.685 0.279 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.674 HG21 HD13 ' B' ' 18' ' ' LEU . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.674 HD13 HG21 ' B' ' 9' ' ' VAL . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.647 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.77 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.451 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.459 ' O ' HD23 ' B' ' 30' ' ' LEU . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.437 ' HG3' HD13 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.774 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' D' ' 27' ' ' LEU . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.704 0.288 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.683 HG21 HD13 ' C' ' 18' ' ' LEU . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.683 HD13 HG21 ' C' ' 9' ' ' VAL . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.572 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.645 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.786 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.447 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.464 ' O ' HD23 ' C' ' 30' ' ' LEU . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.449 ' HE2' HD12 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 27' ' ' LEU . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.685 0.278 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.676 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.676 HD13 HG21 ' D' ' 9' ' ' VAL . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.647 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.777 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.451 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.462 ' O ' HD23 ' D' ' 30' ' ' LEU . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.436 ' HG3' HD13 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.775 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.41 HG13 HD11 ' B' ' 27' ' ' LEU . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.675 0.274 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.726 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.573 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.53 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 63.9 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' C' ' 27' ' ' LEU . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.015 0 CA-C-O 120.656 0.265 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.505 ' O ' HD12 ' B' ' 18' ' ' LEU . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.414 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.533 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 21' ' ' LEU . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 28' ' ' MET . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.925 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.933 HG21 HD21 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 63.9 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.459 -0.016 0 CA-C-O 120.693 0.282 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.727 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' TYR . . . . . 0.405 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' C' ' 18' ' ' LEU . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 19' ' ' MET . . . . . 0.572 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' SER . . . . . 0.53 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' C' ' 21' ' ' LEU . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' C' ' 28' ' ' MET . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLN . . . . . 0.604 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 63.9 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 6' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 10' ' ' ARG . . . . . 0.727 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ASN . . . . . 0.508 ' O ' HD12 ' D' ' 18' ' ' LEU . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 15' ' ' PHE . . . . . 0.792 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 22' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 23' ' ' GLU . . . . . 0.42 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 24' ' ' SER . . . . . 0.533 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' D' ' 21' ' ' LEU . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 26' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 28' ' ' MET . . . . . 0.417 ' HG3' HD13 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.933 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 31' ' ' VAL . . . . . 0.925 HG21 HD21 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 63.9 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' B' ' 27' ' ' LEU . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' TYR . . . . . 0.414 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 9.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG21 HD13 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' HD12 ' A' ' 18' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.752 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.713 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.713 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.742 HD13 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.74 ' SD ' HD13 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.823 HD21 HG11 ' C' ' 31' ' ' VAL . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.587 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 HD11 ' C' ' 27' ' ' LEU . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 7.4 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 1.8 tp-100 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.71 -48.03 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.59 131.58 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.163 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.78 -3.24 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.901 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.74 8.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.734 HG21 HD13 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.507 ' OD1' HD12 ' B' ' 18' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.703 ' HE1' ' HE3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.753 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.703 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.754 ' SD ' HD13 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' D' ' 31' ' ' VAL . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.443 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 7.4 tt0 -83.67 -28.94 28.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 1.8 tp-100 -66.99 -21.43 65.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.479 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.63 -48.06 69.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.62 131.53 4.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.25 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.648 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.855 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.79 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.81 8.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.817 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.529 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.503 ' OD1' HD12 ' C' ' 18' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.753 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.717 ' HE1' ' HE3' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.717 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.74 HD13 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.82 HD21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.585 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.439 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 7.4 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 1.8 tp-100 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.62 -48.05 69.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 131.6 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.185 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.8 -3.26 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.869 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 8.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.511 ' OD1' HD12 ' D' ' 18' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.817 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.702 ' HE1' ' HE3' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.752 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.702 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.758 ' SD ' HD13 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' B' ' 31' ' ' VAL . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' B' ' 27' ' ' LEU . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.438 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 7.4 tt0 -83.68 -28.85 28.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 1.8 tp-100 -67.09 -21.38 65.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.479 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.59 -48.17 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.54 131.56 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.195 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.75 -3.27 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.882 -179.74 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.71 -150.41 0.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 18' ' ' LEU . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' CG ' HG13 ' A' ' 9' ' ' VAL . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.66 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 20' ' ' LYS . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 30' ' ' LEU . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' C' ' 24' ' ' SER . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 tp -56.34 -49.79 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 48.4 mt -134.17 88.47 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.65 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -85.07 37.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 109.904 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.073 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.74 -150.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.509 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.666 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.525 HG21 HD22 ' B' ' 18' ' ' LEU . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.408 ' CG ' HG13 ' B' ' 9' ' ' VAL . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.653 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 30' ' ' LEU . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.409 ' HE2' HD12 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.929 HG21 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -79.69 -40.07 29.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -60.54 -23.41 64.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.082 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 5.4 tp -56.28 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.567 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.436 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 49.2 mt -134.17 88.48 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.625 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -85.09 38.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.161 0.505 . . . . 0.0 109.945 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.994 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.78 -150.51 0.08 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' C' ' 18' ' ' LEU . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.415 ' CG ' HG13 ' C' ' 9' ' ' VAL . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.662 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' D' ' 8' ' ' GLN . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.511 HD12 HD13 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' C' ' 30' ' ' LEU . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.433 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 5.3 tp -56.32 -49.75 73.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.433 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 48.9 mt -134.19 88.48 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.646 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -85.13 37.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.985 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.042 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.8 -150.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' D' ' 18' ' ' LEU . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' D' ' 9' ' ' VAL . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.654 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 8' ' ' GLN . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.469 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' D' ' 30' ' ' LEU . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.929 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -79.63 -40.15 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.55 -23.4 64.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.438 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 5.3 tp -56.19 -49.85 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.591 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.438 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 48.5 mt -134.12 88.51 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.181 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.627 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -85.08 37.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.148 0.499 . . . . 0.0 109.947 179.406 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.026 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -168.34 11.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.9 tt0 -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 18' ' ' LEU . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' C' ' 21' ' ' LEU . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.435 ' HB2' ' C ' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' MET . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.868 HD21 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.874 HG21 HD21 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 HD11 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD23 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -55.66 -43.1 75.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HG ' HD23 ' A' ' 45' ' ' LEU . 87.9 mt -115.04 -71.37 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.415 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER 56.77 38.35 29.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.021 0.438 . . . . 0.0 110.249 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 -168.38 11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.9 tt0 -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 18' ' ' LEU . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' D' ' 21' ' ' LEU . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.437 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' B' ' 28' ' ' MET . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.879 HD21 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.876 HG21 HD21 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.401 ' HB2' HD12 ' B' ' 35' ' ' LEU . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -35.91 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -67.81 -22.67 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' B' ' 46' ' ' LEU . 0.9 OUTLIER -55.67 -43.08 75.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.7 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' B' ' 45' ' ' LEU . 88.4 mt -115.06 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.466 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.421 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER 56.7 38.49 29.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.28 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.415 -0.803 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 -168.37 11.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.704 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.826 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.68 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.9 tt0 -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.515 HG21 HD22 ' C' ' 18' ' ' LEU . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.691 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.834 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.414 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.435 ' C ' ' HB2' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' C' ' 28' ' ' MET . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.504 HD23 ' HG ' ' C' ' 46' ' ' LEU . 0.9 OUTLIER -55.73 -43.05 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.504 ' HG ' HD23 ' C' ' 45' ' ' LEU . 88.2 mt -115.06 -71.34 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.415 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 56.64 38.53 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -168.31 11.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.691 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.834 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.9 tt0 -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.528 HG21 HD22 ' D' ' 18' ' ' LEU . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.704 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.826 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.551 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' B' ' 21' ' ' LEU . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.646 HD12 HD13 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' D' ' 28' ' ' MET . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.876 HD21 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.879 HG21 HD21 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.94 45.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -67.78 -22.72 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' D' ' 46' ' ' LEU . 0.9 OUTLIER -55.62 -43.14 75.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.7 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' D' ' 45' ' ' LEU . 88.4 mt -115.0 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.467 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.423 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 56.72 38.43 29.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 0.0 110.296 -179.359 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.878 0.371 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 -163.11 21.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.802 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' B' ' 9' ' ' VAL . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.65 ' HE3' HD12 ' C' ' 27' ' ' LEU . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.601 HG13 HD11 ' C' ' 27' ' ' LEU . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.52 -49.91 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 -67.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.401 ' OE1' ' HE2' ' C' ' 19' ' ' MET . 0.0 OUTLIER 57.41 39.03 28.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.016 0.436 . . . . 0.0 110.808 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.815 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 -163.04 21.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.802 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' B' ' 18' ' ' LEU . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' B' ' 9' ' ' VAL . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 9' ' ' VAL . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.676 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.667 ' HE3' HD12 ' D' ' 27' ' ' LEU . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.87 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.88 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.611 HG13 HD11 ' D' ' 27' ' ' LEU . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -81.7 -38.69 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -66.59 -21.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.54 -49.83 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.2 -67.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.4 ' OE1' ' HE2' ' D' ' 19' ' ' MET . 0.0 OUTLIER 57.41 38.93 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 110.784 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.886 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 -163.09 21.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.739 HG21 HD13 ' C' ' 18' ' ' LEU . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.739 HD13 HG21 ' C' ' 9' ' ' VAL . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' D' ' 9' ' ' VAL . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.65 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.652 ' HE3' HD12 ' A' ' 27' ' ' LEU . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.595 HG13 HD11 ' A' ' 27' ' ' LEU . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.47 -49.92 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.09 -67.93 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.281 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.46 38.97 28.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.698 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.882 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 -163.06 21.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' C' ' 9' ' ' VAL . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 27' ' ' LEU . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.88 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.87 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.404 ' CD ' ' HE1' ' B' ' 19' ' ' MET . 14.5 tt0 -81.75 -38.61 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.66 -21.93 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.092 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.69 -49.8 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.14 -67.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.39 39.05 28.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.417 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -167.54 2.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.751 HG21 HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.623 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.524 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.59 ' HE3' HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD11 HG13 ' C' ' 36' ' ' VAL . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.626 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.006 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.012 HG21 HD21 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG13 HD11 ' C' ' 27' ' ' LEU . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.509 ' HG3' ' HZ2' ' C' ' 22' ' ' LYS . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.16 -49.96 70.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.42 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.018 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.606 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER 57.55 30.68 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.958 -179.004 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 99.3 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 -167.53 2.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.505 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.593 ' HE3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' D' ' 36' ' ' VAL . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.994 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.995 HG21 HD21 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' D' ' 27' ' ' LEU . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.475 ' CG ' ' HZ2' ' D' ' 22' ' ' LYS . 21.7 tt0 -80.43 -33.11 37.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.89 -22.64 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.2 -49.88 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.822 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.4 -72.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.983 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.591 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER 57.57 30.61 19.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.175 0.512 . . . . 0.0 109.97 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.465 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 -167.52 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.668 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.519 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.62 ' HG2' HD13 ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.588 ' HE3' HD12 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.626 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' VAL . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 1.006 HG21 HD21 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.606 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.481 HG13 HD11 ' A' ' 27' ' ' LEU . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.489 ' HG3' ' HZ2' ' A' ' 22' ' ' LYS . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.23 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -72.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.609 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 57.52 30.64 19.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.175 0.512 . . . . 0.0 109.975 -178.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -167.51 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.504 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.623 ' HG2' HD13 ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.594 ' HE3' HD12 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' B' ' 36' ' ' VAL . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.995 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.994 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 27' ' ' LEU . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.498 ' HG3' ' HZ2' ' B' ' 22' ' ' LYS . 21.7 tt0 -80.39 -33.25 37.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -69.78 -22.61 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.934 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.22 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.952 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.587 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 57.53 30.62 19.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.115 0.483 . . . . 0.0 109.968 -178.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.571 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 -168.27 10.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.018 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.812 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.783 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' OD1' HD22 ' B' ' 25' ' ' LEU . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HZ1' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' B' ' 14' ' ' ASN . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 HG13 ' C' ' 36' ' ' VAL . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.469 ' HE2' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.928 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.921 HG21 HD21 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG13 HD11 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.608 ' O ' HD23 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.709 ' HG2' ' HZ1' ' C' ' 22' ' ' LYS . 7.1 tp-100 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -56.77 -32.26 65.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 48' ' ' ARG . 7.5 tt -155.77 92.78 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.67 51.02 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.206 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' H ' HD23 ' A' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.014 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 -168.33 10.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.786 HG21 HD13 ' B' ' 18' ' ' LEU . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' A' ' 25' ' ' LEU . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.812 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.502 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HZ1' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.51 HD22 ' OD1' ' A' ' 14' ' ' ASN . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.606 HD11 HG13 ' D' ' 36' ' ' VAL . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.477 ' HE2' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.907 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.611 ' O ' HD23 ' B' ' 45' ' ' LEU . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.648 ' HG2' ' HZ1' ' D' ' 22' ' ' LYS . 7.1 tp-100 -90.53 -23.65 20.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.28 -27.77 69.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -56.7 -32.37 65.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.605 HD23 ' H ' ' B' ' 48' ' ' ARG . 7.4 tt -155.66 92.77 1.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.64 51.05 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.161 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.605 ' H ' HD23 ' B' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.057 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -168.32 10.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.785 HG21 HD13 ' C' ' 18' ' ' LEU . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' D' ' 25' ' ' LEU . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.516 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HZ1' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.487 HD22 ' OD1' ' D' ' 14' ' ' ASN . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.608 HD11 HG13 ' A' ' 36' ' ' VAL . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.921 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.698 ' HG2' ' HZ1' ' A' ' 22' ' ' LYS . 7.1 tp-100 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER -56.74 -32.28 65.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.596 HD23 ' H ' ' C' ' 48' ' ' ARG . 7.5 tt -155.78 92.77 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.66 51.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.147 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.596 ' H ' HD23 ' C' ' 46' ' ' LEU . 87.4 mtm180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.997 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 -168.28 10.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.033 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.451 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.787 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.487 ' OD1' HD22 ' C' ' 25' ' ' LEU . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.499 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.648 ' HZ1' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' C' ' 14' ' ' ASN . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.609 HD11 HG13 ' B' ' 36' ' ' VAL . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE2' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.907 HG21 HD21 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' D' ' 45' ' ' LEU . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.641 ' HG2' ' HZ1' ' B' ' 22' ' ' LYS . 7.1 tp-100 -90.58 -23.55 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -64.37 -27.68 69.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.174 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 42' ' ' GLN . 0.4 OUTLIER -56.79 -32.24 65.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.605 HD23 ' H ' ' D' ' 48' ' ' ARG . 7.5 tt -155.71 92.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.61 51.02 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.204 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.605 ' H ' HD23 ' D' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 -168.8 15.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.1 OUTLIER -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 18' ' ' LEU . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 6.3 tp-100 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.64 -49.95 71.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -140.36 86.91 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.155 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.786 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -84.33 43.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.283 179.622 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 -168.75 15.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' B' ' 18' ' ' LEU . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.515 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' A' ' 18' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.622 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.568 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.92 HG21 HD21 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.582 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.506 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 6.3 tp-100 -83.12 -32.87 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -66.93 -22.49 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.764 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.71 -49.9 71.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.765 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -140.25 86.85 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.16 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.76 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -84.29 43.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.29 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.809 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 -168.79 15.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.1 OUTLIER -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' C' ' 18' ' ' LEU . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.601 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.508 HD23 HD13 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.507 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 6.3 tp-100 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -49.98 71.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 17.0 tp -140.25 86.9 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.109 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.782 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.25 43.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.302 179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 -168.84 15.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.79 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.1 OUTLIER -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' D' ' 18' ' ' LEU . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' C' ' 18' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.619 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.568 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.92 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.514 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 6.3 tp-100 -83.19 -32.95 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -66.82 -22.57 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.742 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -50.0 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.766 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -140.22 86.89 2.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.186 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.762 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -84.29 43.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.247 179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.818 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.14 12.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.807 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.689 HE22 HD13 ' D' ' 46' ' ' LEU . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' A' ' 9' ' ' VAL . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' HE2' ' O ' ' B' ' 8' ' ' GLN . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 HD13 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 28' ' ' MET . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 HD11 ' C' ' 27' ' ' LEU . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 46' ' ' LEU . 1.5 tp -56.28 -48.58 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.63 HD13 HE22 ' D' ' 8' ' ' GLN . 1.1 mt -106.52 -78.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.897 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.23 31.38 20.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.083 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.008 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.13 13.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.684 HE22 HD13 ' C' ' 46' ' ' LEU . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.586 HG21 HD22 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.405 ' CG ' HG13 ' B' ' 9' ' ' VAL . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.807 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 8' ' ' GLN . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' D' ' 36' ' ' VAL . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.43 ' HE2' HD12 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' D' ' 27' ' ' LEU . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.474 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.77 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' B' ' 46' ' ' LEU . 1.6 tp -56.27 -48.6 76.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.217 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.682 HD13 HE22 ' C' ' 8' ' ' GLN . 1.1 mt -106.46 -78.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.95 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.22 31.48 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.175 0.512 . . . . 0.0 110.076 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.19 12.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.682 HE22 HD13 ' B' ' 46' ' ' LEU . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.599 HG21 HD22 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' C' ' 9' ' ' VAL . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.454 HD11 HG13 ' A' ' 36' ' ' VAL . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.424 ' O ' ' HG2' ' C' ' 28' ' ' MET . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.611 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.449 HG13 HD11 ' A' ' 27' ' ' LEU . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' C' ' 46' ' ' LEU . 1.6 tp -56.23 -48.65 76.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.684 HD13 HE22 ' B' ' 8' ' ' GLN . 1.1 mt -106.48 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.95 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.17 31.42 20.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.108 0.48 . . . . 0.0 110.094 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.98 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.11 12.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.1 OUTLIER -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.587 HG21 HD22 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.404 ' CG ' HG13 ' D' ' 9' ' ' VAL . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 8' ' ' GLN . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.474 HD12 HD13 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' B' ' 36' ' ' VAL . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.412 ' HE2' HD12 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' B' ' 27' ' ' LEU . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.472 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? -77.24 -42.82 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.21 -22.91 67.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' D' ' 46' ' ' LEU . 1.5 tp -56.25 -48.68 76.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.183 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.689 HD13 HE22 ' A' ' 8' ' ' GLN . 1.1 mt -106.43 -78.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.971 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.21 31.36 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.103 0.478 . . . . 0.0 110.089 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.042 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.316 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -166.21 11.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' B' ' 7' ' ' LEU . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.576 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HE2' HD12 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.719 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' ARG . 14.7 mm100 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' HD23 ' A' ' 46' ' ' LEU . 14.0 tp -55.46 -49.48 72.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.544 HD23 ' HG ' ' A' ' 45' ' ' LEU . 2.8 pp -163.13 118.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.063 0.458 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.642 HE22 HD12 ' D' ' 7' ' ' LEU . 30.0 tp60 -92.68 59.39 3.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.588 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 81.1 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.804 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -166.16 11.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.729 HG21 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.838 ' CE1' HD13 ' A' ' 7' ' ' LEU . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.564 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.729 HD13 HG21 ' B' ' 9' ' ' VAL . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.568 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.599 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.824 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.441 HD12 HD22 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.459 HD12 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.462 ' HE2' HD12 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 44' ' ' GLN . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.754 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -84.2 -36.32 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 40' ' ' ARG . 14.7 mm100 -59.54 -22.39 61.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' B' ' 46' ' ' LEU . 14.1 tp -55.39 -49.56 72.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.465 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' B' ' 45' ' ' LEU . 2.8 pp -163.02 118.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.639 ' NE2' HD12 ' C' ' 7' ' ' LEU . 30.5 tp60 -92.58 59.27 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.471 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.73 HG21 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' D' ' 7' ' ' LEU . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.568 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.73 HD13 HG21 ' C' ' 9' ' ' VAL . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.581 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.564 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.719 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.437 HD12 ' HE2' ' A' ' 28' ' ' MET . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.439 ' HE2' HD12 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' C' ' 44' ' ' GLN . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.734 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 40' ' ' ARG . 14.7 mm100 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' C' ' 46' ' ' LEU . 14.1 tp -55.33 -49.56 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' C' ' 45' ' ' LEU . 2.8 pp -163.05 118.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.633 HE22 HD12 ' B' ' 7' ' ' LEU . 30.2 tp60 -92.53 59.29 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.436 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.742 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.725 HG21 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.84 ' CE1' HD13 ' C' ' 7' ' ' LEU . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.725 HD13 HG21 ' D' ' 9' ' ' VAL . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.599 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.754 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.437 HD12 HD22 ' D' ' 21' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.459 ' HE2' HD12 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' D' ' 44' ' ' GLN . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.824 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -84.2 -36.28 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' D' ' 40' ' ' ARG . 14.7 mm100 -59.53 -22.46 61.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.27 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' D' ' 46' ' ' LEU . 14.1 tp -55.31 -49.6 71.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.466 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' D' ' 45' ' ' LEU . 2.8 pp -163.04 118.08 1.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.635 ' NE2' HD12 ' A' ' 7' ' ' LEU . 30.4 tp60 -92.56 59.3 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 -76.24 20.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.363 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' O ' HD12 ' A' ' 18' ' ' LEU . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' D' ' 17' ' ' ILE . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.6 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HD2' HD21 ' C' ' 25' ' ' LEU . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' C' ' 20' ' ' LYS . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.96 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.1 tp-100 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.74 73.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.64 86.21 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.749 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -88.75 49.16 1.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.274 179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 -76.06 20.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.445 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.487 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' B' ' 18' ' ' LEU . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' C' ' 17' ' ' ILE . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.616 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.417 ' HD2' HD21 ' D' ' 25' ' ' LEU . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.425 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.943 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.93 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 2.1 tp-100 -66.83 -23.2 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.82 72.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.273 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.3 tp -132.61 86.2 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.733 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -88.68 49.13 1.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.274 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 -76.13 20.7 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.44 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.463 ' O ' HD12 ' C' ' 18' ' ' LEU . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' B' ' 17' ' ' ILE . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.429 ' HD2' HD21 ' A' ' 25' ' ' LEU . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.592 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 20' ' ' LYS . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.957 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.96 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 2.2 tp-100 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.7 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.6 tp -132.68 86.15 2.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.75 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.66 49.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.284 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.487 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 -76.18 20.8 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.404 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.454 ' O ' HD12 ' D' ' 18' ' ' LEU . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' A' ' 17' ' ' ILE . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.618 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.414 ' HD2' HD21 ' B' ' 25' ' ' LEU . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 14' ' ' ASN . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.464 ' CB ' ' HE1' ' B' ' 28' ' ' MET . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.943 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.66 -31.97 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 2.1 tp-100 -66.82 -23.17 66.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.855 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.76 72.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.29 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.1 tp -132.72 86.26 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.532 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.731 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -88.75 49.18 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.209 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.495 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.83 15.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.591 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 30' ' ' LEU . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.814 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 20.3 tp60 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 3.0 tp -54.84 -43.5 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mt -129.63 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.4 51.76 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.067 0.461 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.236 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.8 15.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.433 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.577 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.619 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.84 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 20.2 tp60 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.32 -45.37 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.59 -21.67 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.045 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 3.0 tp -54.92 -43.4 73.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.466 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 42.3 mt -129.71 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.35 51.8 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 109.876 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.072 -0.965 . . . . 0.0 111.12 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.75 15.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.0 OUTLIER -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.613 HG21 HD13 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.593 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' C' ' 26' ' ' GLU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.474 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.489 ' CB ' ' HE1' ' A' ' 28' ' ' MET . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.813 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 20.3 tp60 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.454 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 3.0 tp -54.93 -43.43 73.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.454 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 42.3 mt -129.62 -71.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 51.8 9.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.104 0.478 . . . . 0.0 109.915 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.075 -0.965 . . . . 0.0 111.164 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.8 15.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.0 OUTLIER -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.596 HG21 HD13 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.583 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.5 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' D' ' 26' ' ' GLU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.472 HD23 HD13 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.619 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.842 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 20.4 tp60 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -78.3 -45.45 22.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.53 -21.71 62.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 3.0 tp -54.86 -43.45 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.016 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 42.4 mt -129.68 -71.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 51.81 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.458 . . . . 0.0 109.921 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.102 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 -165.46 13.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.795 HG21 HD13 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' OE1' ' HE2' ' D' ' 20' ' ' LYS . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 9' ' ' VAL . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.505 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.724 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 21' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.545 HD11 HG13 ' C' ' 36' ' ' VAL . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 53.5 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.68 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.2 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp -55.21 -50.07 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.18 -74.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.737 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.86 35.45 24.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.059 0.457 . . . . 0.0 110.165 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 40.4 ptt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.438 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.802 HG21 HD13 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.405 ' OE1' ' HE2' ' C' ' 20' ' ' LYS . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.802 HD13 HG21 ' B' ' 9' ' ' VAL . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.489 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.577 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.583 ' NZ ' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.499 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 21' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' D' ' 36' ' ' VAL . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.965 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.963 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 53.5 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.547 HG13 HD11 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.6 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.2 OUTLIER -78.73 -42.17 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.85 -22.57 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 2.7 tp -55.18 -50.1 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.024 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.15 -74.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.73 35.49 24.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 110.246 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.533 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.341 -0.837 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.798 HG21 HD13 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.577 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.798 HD13 HG21 ' C' ' 9' ' ' VAL . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.509 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.68 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.506 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.473 HD12 HD22 ' C' ' 21' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 36' ' ' VAL . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 53.5 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.724 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp -55.18 -50.14 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.13 -74.54 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.819 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.71 35.47 24.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.074 0.464 . . . . 0.0 110.258 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 -165.5 13.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.522 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.8 HG21 HD13 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.42 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.8 HD13 HG21 ' D' ' 9' ' ' VAL . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.497 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.576 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.6 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.499 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' D' ' 21' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.547 HD11 HG13 ' B' ' 36' ' ' VAL . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.963 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.965 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 53.5 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.583 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 0.2 OUTLIER -78.83 -42.12 28.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.86 -22.47 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 2.7 tp -55.33 -50.05 70.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.032 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.12 -74.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.769 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 35.52 24.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.549 0.214 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.05 31.08 0.21 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.828 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.7 tt0 -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.715 HG21 HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD13 ' B' ' 25' ' ' LEU . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.797 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 18' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.617 ' HE3' HD12 ' C' ' 27' ' ' LEU . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG13 HD11 ' C' ' 27' ' ' LEU . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.74 -47.72 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.47 -69.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.539 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.59 34.37 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.91 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.563 0.22 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.06 31.04 0.21 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.789 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.797 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.7 tt0 -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 18' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.59 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.638 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 14' ' ' ASN . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' D' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.767 HD21 HG11 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.546 HG13 HD11 ' D' ' 27' ' ' LEU . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.15 -41.19 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -63.85 -22.53 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.422 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.75 -47.64 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.58 -69.27 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.46 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.73 34.31 24.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.452 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.563 0.221 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.05 31.06 0.21 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.788 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.7 tt0 -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.409 ' HA ' HD13 ' D' ' 25' ' ' LEU . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.617 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.596 ' HE3' HD12 ' A' ' 27' ' ' LEU . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 27' ' ' LEU . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.66 -47.76 76.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 87.2 mt -110.52 -69.2 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.7 34.34 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.592 0.234 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.01 31.11 0.21 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.7 tt0 -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.721 HG21 HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' C' ' 14' ' ' ASN . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.612 ' HE3' HD12 ' B' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.766 HD21 HG11 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.536 HG13 HD11 ' B' ' 27' ' ' LEU . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -81.1 -41.35 22.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -63.74 -22.54 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.72 -47.73 76.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -110.56 -69.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.467 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.61 34.32 24.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.043 0.449 . . . . 0.0 110.48 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.846 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.57 15.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.66 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.461 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 18' ' ' LEU . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' OD1' HD22 ' B' ' 25' ' ' LEU . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 9' ' ' VAL . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' HG22 ' B' ' 9' ' ' VAL . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.912 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.914 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.425 HG13 HD11 ' C' ' 27' ' ' LEU . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.565 ' HG3' HE22 ' A' ' 47' ' ' GLN . 8.9 tp-100 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -49.94 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.23 98.79 4.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.565 HE22 ' HG3' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -89.59 33.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.44 15.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.466 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' B' ' 18' ' ' LEU . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 12' ' ' ARG . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' A' ' 7' ' ' LEU . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.706 HD13 HG21 ' B' ' 9' ' ' VAL . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.599 ' HG3' HG22 ' A' ' 9' ' ' VAL . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.401 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.931 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.939 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.42 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.558 ' HG3' HE22 ' B' ' 47' ' ' GLN . 8.9 tp-100 -87.22 -31.18 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 31.7 tp60 -64.53 -22.96 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.952 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -49.91 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.54 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 tp -132.23 98.67 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.558 HE22 ' HG3' ' B' ' 43' ' ' GLN . 0.7 OUTLIER -89.45 33.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.469 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.56 15.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' C' ' 18' ' ' LEU . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.411 ' OD1' HD22 ' D' ' 25' ' ' LEU . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.689 HD13 HG21 ' C' ' 9' ' ' VAL . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.67 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.58 ' HG3' HG22 ' D' ' 9' ' ' VAL . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.404 HD22 ' OD1' ' D' ' 14' ' ' ASN . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' C' ' 28' ' ' MET . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.914 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.912 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 27' ' ' LEU . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.562 ' HG3' HE22 ' C' ' 47' ' ' GLN . 8.9 tp-100 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -49.94 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.28 98.76 4.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.562 HE22 ' HG3' ' C' ' 43' ' ' GLN . 0.7 OUTLIER -89.6 33.38 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 68.1 mtp180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.51 15.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.466 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' D' ' 18' ' ' LEU . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.404 ' OD1' HD22 ' C' ' 25' ' ' LEU . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.705 HD13 HG21 ' D' ' 9' ' ' VAL . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.653 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' C' ' 9' ' ' VAL . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.411 HD22 ' OD1' ' C' ' 14' ' ' ASN . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.939 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.931 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 27' ' ' LEU . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.553 ' HG3' HE22 ' D' ' 47' ' ' GLN . 8.9 tp-100 -87.22 -31.17 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 31.7 tp60 -64.59 -22.87 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.927 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -49.92 71.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.515 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 32.7 tp -132.21 98.69 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.553 HE22 ' HG3' ' D' ' 43' ' ' GLN . 0.7 OUTLIER -89.57 33.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -170.34 16.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 18' ' ' LEU . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' A' ' 18' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' B' ' 7' ' ' LEU . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.55 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.64 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG3' HD21 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD11 HG13 ' C' ' 36' ' ' VAL . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.016 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.018 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 78.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.503 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 5.8 tp-100 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -31.41 61.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 HE22 ' D' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' A' ' 44' ' ' GLN . 0.9 OUTLIER 62.97 21.34 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.435 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 -170.39 16.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.703 HG21 HD13 ' B' ' 18' ' ' LEU . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' B' ' 18' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 7' ' ' LEU . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' C' ' 17' ' ' ILE . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.59 ' HZ2' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HD21 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.554 HD11 HG13 ' D' ' 36' ' ' VAL . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 78.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.555 HG13 HD11 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 28.5 tt0 -80.48 -23.73 39.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' B' ' 47' ' ' GLN . 5.8 tp-100 -67.46 -22.53 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.567 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.4 HD23 HD11 ' B' ' 46' ' ' LEU . 1.0 OUTLIER -55.19 -31.42 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.724 179.174 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.553 HD22 ' NE2' ' C' ' 8' ' ' GLN . 0.6 OUTLIER -121.81 -67.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.206 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' B' ' 44' ' ' GLN . 0.9 OUTLIER 63.12 21.28 12.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.496 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.986 -1.007 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 -170.4 16.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.712 HG21 HD13 ' C' ' 18' ' ' LEU . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' C' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' D' ' 7' ' ' LEU . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.526 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 36' ' ' VAL . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.64 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 1.016 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 78.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . 0.5 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' C' ' 47' ' ' GLN . 5.8 tp-100 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -31.39 61.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.564 HD22 HE22 ' B' ' 8' ' ' GLN . 0.6 OUTLIER -121.88 -67.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.211 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' C' ' 44' ' ' GLN . 0.9 OUTLIER 63.05 21.24 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.36 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 14.4 ptm180 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -170.43 16.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.698 HG21 HD13 ' D' ' 18' ' ' LEU . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' D' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.859 ' CE1' HD13 ' C' ' 7' ' ' LEU . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 17' ' ' ILE . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.473 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.568 ' HZ2' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.645 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.517 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.51 ' HG3' HD21 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.555 HD11 HG13 ' B' ' 36' ' ' VAL . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 78.5 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' GLN . . . . . 0.507 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 28.5 tt0 -80.57 -23.72 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' D' ' 47' ' ' GLN . 5.8 tp-100 -67.57 -22.49 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.523 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -31.34 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.211 -179.565 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' D' ' 44' ' ' GLN . 0.9 OUTLIER 62.99 21.33 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.38 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 -168.47 24.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' B' ' 9' ' ' VAL . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.562 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.599 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' C' ' 27' ' ' LEU . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.6 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' C' ' 27' ' ' LEU . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 34.5 tp60 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.6 tp -134.85 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.641 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.737 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -93.31 44.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 -168.45 24.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.742 HG21 HD13 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.423 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.518 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' D' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.594 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.592 ' HE3' HD12 ' D' ' 27' ' ' LEU . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.901 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.6 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' D' ' 27' ' ' LEU . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.75 -29.32 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 34.5 tp60 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.57 -50.0 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.405 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.8 tp -134.85 96.33 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.723 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.733 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -93.13 44.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 98.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 -168.38 24.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.596 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.405 HD12 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.599 ' HE3' HD12 ' A' ' 27' ' ' LEU . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.6 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 27' ' ' LEU . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 34.5 tp60 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -50.04 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.79 96.42 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.758 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.739 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -93.14 44.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 -168.49 24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.605 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.51 ' CG ' HG22 ' C' ' 9' ' ' VAL . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.406 HD12 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.594 ' HE3' HD12 ' B' ' 27' ' ' LEU . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.901 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.6 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.516 HG13 HD11 ' B' ' 27' ' ' LEU . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.77 -29.31 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 34.4 tp60 -63.88 -24.98 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.87 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -50.08 72.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.394 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.86 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.71 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.741 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -93.2 44.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.566 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -167.18 13.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.793 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 25' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.635 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.648 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 HD13 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 53.2 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 2.0 tp-100 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' HG ' HD23 ' A' ' 46' ' ' LEU . 12.6 tp -54.35 -48.81 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD23 ' HG ' ' A' ' 45' ' ' LEU . 2.9 pp -159.62 122.77 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.295 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 47' ' ' GLN . 5.7 tp-100 -99.86 61.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.44 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.416 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -167.21 13.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.643 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.793 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG21 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.777 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 25' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.631 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' D' ' 28' ' ' MET . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' D' ' 24' ' ' SER . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.926 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 53.1 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 2.0 tp-100 -67.14 -21.43 65.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.127 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' B' ' 46' ' ' LEU . 12.6 tp -54.36 -48.79 71.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.477 HD23 ' HG ' ' B' ' 45' ' ' LEU . 2.9 pp -159.6 122.68 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.294 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.557 ' HA ' ' NE2' ' B' ' 47' ' ' GLN . 5.6 tp-100 -99.75 61.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.44 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -167.2 13.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.622 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.782 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.465 HG21 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 12' ' ' ARG . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.789 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.769 HD13 HD12 ' D' ' 25' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.632 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.648 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.454 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.402 ' HE2' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 53.1 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 2.0 tp-100 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' C' ' 46' ' ' LEU . 12.6 tp -54.43 -48.82 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.474 HD23 ' HG ' ' C' ' 45' ' ' LEU . 2.9 pp -159.56 122.82 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 111.321 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.564 ' NE2' ' HA ' ' C' ' 47' ' ' GLN . 5.6 tp-100 -99.85 61.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.422 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -167.27 12.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.789 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.481 HG21 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.782 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' C' ' 25' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.637 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 28' ' ' MET . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.769 HD12 HD13 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' B' ' 24' ' ' SER . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.926 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 53.1 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.593 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.93 -29.66 32.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 2.0 tp-100 -67.17 -21.38 65.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.111 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' D' ' 46' ' ' LEU . 12.6 tp -54.4 -48.82 71.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' D' ' 45' ' ' LEU . 2.9 pp -159.64 122.72 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.556 ' NE2' ' HA ' ' D' ' 47' ' ' GLN . 5.7 tp-100 -99.82 61.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.415 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.629 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 95.9 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -164.73 20.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 14' ' ' ASN . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' CG ' HG13 ' A' ' 9' ' ' VAL . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.632 ' HE1' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD12 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE2' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.766 ' CD2' HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 HD11 ' C' ' 27' ' ' LEU . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp -54.9 -47.97 73.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.9 mt -119.38 -76.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.612 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER 61.29 15.38 6.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.214 0.531 . . . . 0.0 110.045 -179.293 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.028 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 -164.8 21.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.67 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.837 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' B' ' 14' ' ' ASN . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' B' ' 9' ' ' VAL . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.609 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.579 ' HE2' ' HE1' ' B' ' 19' ' ' MET . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD11 HG13 ' D' ' 36' ' ' VAL . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.515 ' HE2' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.763 ' CD2' HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.464 HG13 HD11 ' D' ' 27' ' ' LEU . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -78.41 -48.85 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -57.49 -21.43 37.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 1.4 tp -54.89 -48.06 73.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 74.8 mt -119.38 -76.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.628 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER 61.26 15.37 6.37 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.028 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.444 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -164.78 21.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.667 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.0 OUTLIER -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' C' ' 14' ' ' ASN . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.688 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' HG13 ' C' ' 9' ' ' VAL . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.632 ' HE1' ' HE2' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.632 ' HE2' ' HE1' ' C' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.618 HD12 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.528 ' HE2' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 27' ' ' LEU . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp -54.94 -48.0 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 75.1 mt -119.4 -76.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' GLN . . . . . 0.622 HE22 ' HZ ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 61.24 15.46 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.157 0.503 . . . . 0.0 110.03 -179.348 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.982 -179.792 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -164.78 21.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.0 OUTLIER -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' D' ' 14' ' ' ASN . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' D' ' 9' ' ' VAL . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.653 ' HE1' ' HE2' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.653 ' HE2' ' HE1' ' D' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.634 HD12 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' D' ' 28' ' ' MET . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.762 ' CD2' HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.467 HG13 HD11 ' B' ' 27' ' ' LEU . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -78.33 -48.9 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -57.44 -21.53 37.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.177 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 1.4 tp -54.91 -48.01 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.204 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -119.37 -76.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.622 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER 61.33 15.34 6.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 -179.333 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.027 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.16 17.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 9' ' ' VAL . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.644 ' HZ2' ' H ' ' B' ' 8' ' ' GLN . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 30' ' ' LEU . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HE2' HD12 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.795 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG13 HD11 ' C' ' 27' ' ' LEU . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -45.19 77.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.13 -70.63 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.421 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 39.54 29.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.12 0.486 . . . . 0.0 110.355 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.886 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.1 17.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.674 HG21 HD13 ' B' ' 18' ' ' LEU . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.674 HD13 HG21 ' B' ' 9' ' ' VAL . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.647 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.774 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.451 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.459 ' O ' HD23 ' B' ' 30' ' ' LEU . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.437 ' HG3' HD13 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.774 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' D' ' 27' ' ' LEU . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -81.99 -35.35 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -64.32 -22.47 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.171 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.6 -45.28 77.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.022 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.03 -70.6 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.13 39.52 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.128 0.49 . . . . 0.0 110.397 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.24 17.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.683 HG21 HD13 ' C' ' 18' ' ' LEU . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.683 HD13 HG21 ' C' ' 9' ' ' VAL . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.572 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.645 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.786 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.447 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.464 ' O ' HD23 ' C' ' 30' ' ' LEU . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.449 ' HE2' HD12 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 27' ' ' LEU . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.53 -45.29 77.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.0 -70.62 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.409 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.12 39.49 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.116 0.484 . . . . 0.0 110.36 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.731 0.301 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.19 17.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.676 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.676 HD13 HG21 ' D' ' 9' ' ' VAL . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.647 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.777 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.451 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.462 ' O ' HD23 ' D' ' 30' ' ' LEU . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.436 ' HG3' HD13 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.775 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.41 HG13 HD11 ' B' ' 27' ' ' LEU . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -82.0 -35.38 28.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.28 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.146 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.55 -45.16 77.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.022 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.14 -70.67 0.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.366 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.17 39.46 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.097 0.475 . . . . 0.0 110.343 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.911 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.726 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.573 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.53 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 63.9 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' C' ' 27' ' ' LEU . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.05 -49.74 72.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.7 tp -139.52 87.47 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.72 HE22 ' HZ ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -89.51 47.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.485 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.2 21.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.505 ' O ' HD12 ' B' ' 18' ' ' LEU . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.414 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.533 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 21' ' ' LEU . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 28' ' ' MET . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.925 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.933 HG21 HD21 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 63.9 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -44.22 26.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.36 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.406 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.12 -49.76 72.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.213 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 tp -139.45 87.48 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.708 HE22 ' HZ ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -89.58 47.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.427 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.19 21.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.727 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.459 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' C' ' 18' ' ' LEU . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 19' ' ' MET . . . . . 0.572 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.53 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' C' ' 21' ' ' LEU . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' C' ' 28' ' ' MET . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLN . . . . . 0.604 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 63.9 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.09 -49.81 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 51.8 tp -139.46 87.47 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.665 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.54 47.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.461 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' ARG . . . . . 0.465 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.463 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.727 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ASN . . . . . 0.508 ' O ' HD12 ' D' ' 18' ' ' LEU . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 15' ' ' PHE . . . . . 0.792 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 22' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 23' ' ' GLU . . . . . 0.42 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 24' ' ' SER . . . . . 0.533 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' D' ' 21' ' ' LEU . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 26' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 28' ' ' MET . . . . . 0.417 ' HG3' HD13 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.933 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 31' ' ' VAL . . . . . 0.925 HG21 HD21 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 63.9 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' B' ' 27' ' ' LEU . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' TYR . . . . . 0.414 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -44.19 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.17 -23.36 65.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.14 -49.74 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.225 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.52 87.43 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' GLN . . . . . 0.712 HE22 ' HZ ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -89.52 47.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.46 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 97.4 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.675 0.274 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.726 HG21 HD13 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' HD12 ' A' ' 18' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.752 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.712 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.712 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.742 HD13 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.74 ' SD ' HD13 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.823 HD21 HG11 ' C' ' 31' ' ' VAL . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.587 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 HD11 ' C' ' 27' ' ' LEU . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 12.8 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.2 tp60 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.021 0 CA-C-O 120.654 0.264 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.734 HG21 HD13 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.507 ' OD1' HD12 ' B' ' 18' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.692 ' HE1' ' HE3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.753 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.692 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.754 ' SD ' HD13 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' D' ' 31' ' ' VAL . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.477 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 12.7 tt0 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.817 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.529 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.503 ' OD1' HD12 ' C' ' 18' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.753 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.716 ' HE1' ' HE3' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.716 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.74 HD13 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.82 HD21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.585 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.439 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 12.8 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 3.2 tp60 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.691 0.282 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.511 ' OD1' HD12 ' D' ' 18' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.817 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.696 ' HE1' ' HE3' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.752 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.696 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.758 ' SD ' HD13 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' B' ' 31' ' ' VAL . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' B' ' 27' ' ' LEU . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.473 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 12.7 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 18' ' ' LEU . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' CG ' HG13 ' A' ' 9' ' ' VAL . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.66 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 20' ' ' LYS . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 30' ' ' LEU . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' C' ' 24' ' ' SER . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.531 0.215 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.666 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.525 HG21 HD22 ' B' ' 18' ' ' LEU . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.408 ' CG ' HG13 ' B' ' 9' ' ' VAL . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.653 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 30' ' ' LEU . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.409 ' HE2' HD12 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.929 HG21 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' C' ' 18' ' ' LEU . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.415 ' CG ' HG13 ' C' ' 9' ' ' VAL . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.662 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' D' ' 8' ' ' GLN . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.511 HD12 HD13 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' C' ' 30' ' ' LEU . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.495 -0.187 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' D' ' 18' ' ' LEU . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' D' ' 9' ' ' VAL . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.654 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 8' ' ' GLN . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.469 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' D' ' 30' ' ' LEU . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.929 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.229 -0.015 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 18' ' ' LEU . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' C' ' 21' ' ' LEU . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.435 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' MET . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.868 HD21 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.874 HG21 HD21 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.9 tp60 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 HD11 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 18' ' ' LEU . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' D' ' 21' ' ' LEU . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.481 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' B' ' 28' ' ' MET . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.879 HD21 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.876 HG21 HD21 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . 0.401 ' HB2' HD12 ' B' ' 35' ' ' LEU . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.704 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.826 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.68 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.515 HG21 HD22 ' C' ' 18' ' ' LEU . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.691 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.834 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.468 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' C' ' 28' ' ' MET . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.73 0.3 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.691 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.834 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.528 HG21 HD22 ' D' ' 18' ' ' LEU . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.704 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.826 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.551 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' B' ' 21' ' ' LEU . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.496 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.646 HD12 HD13 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.437 ' O ' ' HG2' ' D' ' 28' ' ' MET . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.876 HD21 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.879 HG21 HD21 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.802 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' B' ' 9' ' ' VAL . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.65 ' HE3' HD12 ' C' ' 27' ' ' LEU . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.601 HG13 HD11 ' C' ' 27' ' ' LEU . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.802 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' B' ' 18' ' ' LEU . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' B' ' 9' ' ' VAL . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 9' ' ' VAL . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.676 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.667 ' HE3' HD12 ' D' ' 27' ' ' LEU . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.87 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.88 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.611 HG13 HD11 ' D' ' 27' ' ' LEU . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.033 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.739 HG21 HD13 ' C' ' 18' ' ' LEU . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.739 HD13 HG21 ' C' ' 9' ' ' VAL . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' D' ' 9' ' ' VAL . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.65 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.652 ' HE3' HD12 ' A' ' 27' ' ' LEU . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.595 HG13 HD11 ' A' ' 27' ' ' LEU . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.745 0.307 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' C' ' 9' ' ' VAL . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 27' ' ' LEU . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.88 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.87 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.723 0.297 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.751 HG21 HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.623 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.524 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.59 ' HE3' HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD11 HG13 ' C' ' 36' ' ' VAL . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.626 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.006 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.012 HG21 HD21 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG13 HD11 ' C' ' 27' ' ' LEU . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.509 ' HG3' ' HZ2' ' C' ' 22' ' ' LYS . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.706 0.289 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.505 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.593 ' HE3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' D' ' 36' ' ' VAL . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.994 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.995 HG21 HD21 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' D' ' 27' ' ' LEU . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.475 ' CG ' ' HZ2' ' D' ' 22' ' ' LYS . 21.7 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.465 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.519 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.62 ' HG2' HD13 ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.588 ' HE3' HD12 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.626 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' VAL . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 1.006 HG21 HD21 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.606 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.481 HG13 HD11 ' A' ' 27' ' ' LEU . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.489 ' HG3' ' HZ2' ' A' ' 22' ' ' LYS . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.75 0.31 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.504 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.623 ' HG2' HD13 ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.594 ' HE3' HD12 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' B' ' 36' ' ' VAL . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.995 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.994 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 27' ' ' LEU . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.498 ' HG3' ' HZ2' ' B' ' 22' ' ' LYS . 21.7 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 CA--C 1.524 -0.029 0 CA-C-O 120.68 0.276 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.812 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.783 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' OD1' HD22 ' B' ' 25' ' ' LEU . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HZ1' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' B' ' 14' ' ' ASN . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 HG13 ' C' ' 36' ' ' VAL . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.469 ' HE2' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.928 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.921 HG21 HD21 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.608 HG13 HD11 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.608 ' O ' HD23 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.709 ' HG2' ' HZ1' ' C' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 . . . . . 0 N--CA 1.459 -0.021 0 CA-C-O 120.648 0.261 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.786 HG21 HD13 ' B' ' 18' ' ' LEU . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' A' ' 25' ' ' LEU . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.812 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.502 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HZ1' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.51 HD22 ' OD1' ' A' ' 14' ' ' ASN . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.606 HD11 HG13 ' D' ' 36' ' ' VAL . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.477 ' HE2' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.907 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.648 ' HG2' ' HZ1' ' D' ' 22' ' ' LYS . 53.0 tp60 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.785 HG21 HD13 ' C' ' 18' ' ' LEU . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' D' ' 25' ' ' LEU . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.516 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HZ1' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.487 HD22 ' OD1' ' D' ' 14' ' ' ASN . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.608 HD11 HG13 ' A' ' 36' ' ' VAL . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.921 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.698 ' HG2' ' HZ1' ' A' ' 22' ' ' LYS . 53.1 tp60 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.666 0.27 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.787 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.487 ' OD1' HD22 ' C' ' 25' ' ' LEU . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.499 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.648 ' HZ1' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' C' ' 14' ' ' ASN . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.609 HD11 HG13 ' B' ' 36' ' ' VAL . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE2' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.907 HG21 HD21 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.641 ' HG2' ' HZ1' ' B' ' 22' ' ' LYS . 53.0 tp60 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.036 0 CA-C-O 120.668 0.27 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.2 tt0 -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 18' ' ' LEU . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.028 0 CA-C-O 120.638 0.256 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.2 tt0 -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' B' ' 18' ' ' LEU . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.515 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' A' ' 18' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.622 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.568 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.92 HG21 HD21 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.582 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.525 -0.008 0 CA-C-O 120.688 0.28 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' C' ' 18' ' ' LEU . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.601 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.508 HD23 HD13 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.664 0.269 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.79 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.2 tt0 -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' D' ' 18' ' ' LEU . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' C' ' 18' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.619 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.568 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.92 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.614 0.245 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.807 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.633 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' A' ' 9' ' ' VAL . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' NZ ' ' HG3' ' C' ' 43' ' ' GLN . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 HD13 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 28' ' ' MET . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 HD11 ' C' ' 27' ' ' LEU . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.603 0.239 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.586 HG21 HD22 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.405 ' CG ' HG13 ' B' ' 9' ' ' VAL . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.807 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 8' ' ' GLN . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' D' ' 36' ' ' VAL . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.43 ' HE2' HD12 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' D' ' 27' ' ' LEU . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.474 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.618 0.247 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.599 HG21 HD22 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' C' ' 9' ' ' VAL . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.454 HD11 HG13 ' A' ' 36' ' ' VAL . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' C' ' 28' ' ' MET . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.611 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.449 HG13 HD11 ' A' ' 27' ' ' LEU . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.679 0.275 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.587 HG21 HD22 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.404 ' CG ' HG13 ' D' ' 9' ' ' VAL . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 8' ' ' GLN . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.474 HD12 HD13 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' B' ' 36' ' ' VAL . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.412 ' HE2' HD12 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' B' ' 27' ' ' LEU . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.472 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.018 0 CA-C-O 120.665 0.269 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' B' ' 7' ' ' LEU . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.576 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.424 ' HE2' HD12 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.719 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' ARG . 23.1 mm-40 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 N--CA 1.46 0.029 0 CA-C-O 120.711 0.291 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.729 HG21 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.838 ' CE1' HD13 ' A' ' 7' ' ' LEU . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.564 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.729 HD13 HG21 ' B' ' 9' ' ' VAL . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.568 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.599 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.824 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.441 HD12 HD22 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.459 HD12 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.462 ' HE2' HD12 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.754 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.681 0.277 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.73 HG21 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' D' ' 7' ' ' LEU . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.568 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.73 HD13 HG21 ' C' ' 9' ' ' VAL . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.581 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.564 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.719 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.427 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.439 ' HE2' HD12 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' C' ' 44' ' ' GLN . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.734 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 40' ' ' ARG . 23.2 mm-40 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.704 0.288 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.725 HG21 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.84 ' CE1' HD13 ' C' ' 7' ' ' LEU . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.725 HD13 HG21 ' D' ' 9' ' ' VAL . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.599 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.754 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.437 HD12 HD22 ' D' ' 21' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.459 ' HE2' HD12 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.824 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.573 0.225 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.459 ' O ' HD12 ' A' ' 18' ' ' LEU . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' D' ' 17' ' ' ILE . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.6 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HD2' HD21 ' C' ' 25' ' ' LEU . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' C' ' 20' ' ' LYS . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' CB ' ' HE1' ' C' ' 28' ' ' MET . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.96 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 4.3 tp60 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.597 0.236 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.415 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' B' ' 18' ' ' LEU . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' C' ' 17' ' ' ILE . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.616 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.417 ' HD2' HD21 ' D' ' 25' ' ' LEU . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.425 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.943 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.642 0.258 . . . . 0.0 111.44 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.463 ' O ' HD12 ' C' ' 18' ' ' LEU . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' B' ' 17' ' ' ILE . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.429 ' HD2' HD21 ' A' ' 25' ' ' LEU . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.592 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 20' ' ' LYS . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.957 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.96 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 4.3 tp60 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.595 0.236 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.454 ' O ' HD12 ' D' ' 18' ' ' LEU . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' A' ' 17' ' ' ILE . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.618 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.414 ' HD2' HD21 ' B' ' 25' ' ' LEU . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 14' ' ' ASN . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.464 ' CB ' ' HE1' ' B' ' 28' ' ' MET . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.943 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.304 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.3 tt0 -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.591 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CB ' ' HE1' ' C' ' 28' ' ' MET . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.814 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.716 0.293 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.3 tt0 -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.433 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.577 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.619 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.84 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 5.4 tp-100 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.748 0.309 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.613 HG21 HD13 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.593 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' C' ' 26' ' ' GLU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.474 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.465 HD23 HD13 ' C' ' 30' ' ' LEU . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.813 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 5.4 tp-100 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 3.0 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.596 HG21 HD13 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.583 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.5 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' D' ' 26' ' ' GLU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.472 HD23 HD13 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.619 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.842 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.569 0.223 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.795 HG21 HD13 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' OE1' ' HE2' ' D' ' 20' ' ' LYS . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.576 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 9' ' ' VAL . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.505 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.724 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 21' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.545 HD11 HG13 ' C' ' 36' ' ' VAL . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.68 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.5 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.438 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.632 0.253 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.802 HG21 HD13 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.405 ' OE1' ' HE2' ' C' ' 20' ' ' LYS . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.802 HD13 HG21 ' B' ' 9' ' ' VAL . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.489 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.577 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.767 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.499 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 21' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' D' ' 36' ' ' VAL . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.965 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.963 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.547 HG13 HD11 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.6 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.604 0.24 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.798 HG21 HD13 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.577 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.798 HD13 HG21 ' C' ' 9' ' ' VAL . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.509 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.68 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.506 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.473 HD12 HD22 ' C' ' 21' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 36' ' ' VAL . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.724 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.647 0.26 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.8 HG21 HD13 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.42 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.8 HD13 HG21 ' D' ' 9' ' ' VAL . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.497 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.576 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.6 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.499 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' D' ' 21' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.547 HD11 HG13 ' B' ' 36' ' ' VAL . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.963 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.965 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.767 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.715 HG21 HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD13 ' B' ' 25' ' ' LEU . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.797 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 18' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.617 ' HE3' HD12 ' C' ' 27' ' ' LEU . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG13 HD11 ' C' ' 27' ' ' LEU . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.736 0.303 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.797 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 18' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.59 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.638 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 14' ' ' ASN . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' D' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.767 HD21 HG11 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.546 HG13 HD11 ' D' ' 27' ' ' LEU . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.303 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.409 ' HA ' HD13 ' D' ' 25' ' ' LEU . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.617 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.596 ' HE3' HD12 ' A' ' 27' ' ' LEU . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 27' ' ' LEU . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.721 HG21 HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' C' ' 14' ' ' ASN . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.612 ' HE3' HD12 ' B' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.766 HD21 HG11 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.536 HG13 HD11 ' B' ' 27' ' ' LEU . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.525 -0.011 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.66 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.845 HD12 ' HZ3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 18' ' ' LEU . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.401 ' OD1' HD22 ' B' ' 25' ' ' LEU . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 9' ' ' VAL . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.883 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.912 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.914 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.425 HG13 HD11 ' C' ' 27' ' ' LEU . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.62 HE22 ' HB3' ' D' ' 8' ' ' GLN . 58.3 tp60 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.725 0.297 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.423 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.883 HD12 ' HZ3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' B' ' 18' ' ' LEU . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 12' ' ' ARG . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' A' ' 7' ' ' LEU . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.706 HD13 HG21 ' B' ' 9' ' ' VAL . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.845 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.401 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.931 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.939 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.42 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.618 HE22 ' HB3' ' C' ' 8' ' ' GLN . 58.3 tp60 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.748 0.308 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.849 HD12 ' HZ3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' C' ' 18' ' ' LEU . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.411 ' OD1' HD22 ' D' ' 25' ' ' LEU . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.689 HD13 HG21 ' C' ' 9' ' ' VAL . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.67 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.875 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.404 HD22 ' OD1' ' D' ' 14' ' ' ASN . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' C' ' 28' ' ' MET . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.914 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.912 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 27' ' ' LEU . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.613 HE22 ' HB3' ' B' ' 8' ' ' GLN . 58.4 tp60 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.524 -0.043 0 CA-C-O 120.701 0.286 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.875 HD12 ' HZ3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' D' ' 18' ' ' LEU . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.404 ' OD1' HD22 ' C' ' 25' ' ' LEU . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.705 HD13 HG21 ' D' ' 9' ' ' VAL . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.653 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.849 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.411 HD22 ' OD1' ' C' ' 14' ' ' ASN . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.939 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.931 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 27' ' ' LEU . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.598 HE22 ' HB3' ' A' ' 8' ' ' GLN . 58.4 tp60 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.055 0 CA-C-O 120.646 0.26 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 18' ' ' LEU . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' A' ' 18' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' B' ' 7' ' ' LEU . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.55 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.64 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG3' HD21 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD11 HG13 ' C' ' 36' ' ' VAL . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.016 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.018 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 18.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' NE2' ' HD3' ' C' ' 22' ' ' LYS . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 C--O 1.228 -0.052 0 CA-C-O 120.648 0.261 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.703 HG21 HD13 ' B' ' 18' ' ' LEU . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' B' ' 18' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 7' ' ' LEU . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' C' ' 17' ' ' ILE . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.59 ' HZ2' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HD21 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.554 HD11 HG13 ' D' ' 36' ' ' VAL . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.555 HG13 HD11 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' D' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.678 0.275 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.712 HG21 HD13 ' C' ' 18' ' ' LEU . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' C' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' D' ' 7' ' ' LEU . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.558 ' HZ2' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.526 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 36' ' ' VAL . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.64 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 1.016 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 18.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.5 ' NE2' ' HD3' ' A' ' 22' ' ' LYS . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 . . . . . 0 CA--C 1.524 -0.049 0 CA-C-O 120.589 0.233 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.698 HG21 HD13 ' D' ' 18' ' ' LEU . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' D' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.859 ' CE1' HD13 ' C' ' 7' ' ' LEU . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 17' ' ' ILE . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.473 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.592 ' HZ2' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.645 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.517 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.51 ' HG3' HD21 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.555 HD11 HG13 ' B' ' 36' ' ' VAL . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . 0.507 ' NE2' ' HD3' ' B' ' 22' ' ' LYS . 28.5 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.768 0.318 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' B' ' 9' ' ' VAL . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.562 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.599 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' C' ' 27' ' ' LEU . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' C' ' 27' ' ' LEU . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.831 0.348 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.742 HG21 HD13 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.423 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.518 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' D' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.594 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.592 ' HE3' HD12 ' D' ' 27' ' ' LEU . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.901 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' D' ' 27' ' ' LEU . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.797 0.332 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.596 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.405 HD12 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.599 ' HE3' HD12 ' A' ' 27' ' ' LEU . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 9.7 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 27' ' ' LEU . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.605 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.51 ' CG ' HG22 ' C' ' 9' ' ' VAL . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.406 HD12 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.594 ' HE3' HD12 ' B' ' 27' ' ' LEU . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.901 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 9.7 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.516 HG13 HD11 ' B' ' 27' ' ' LEU . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.032 0 CA-C-O 120.746 0.308 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.793 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 25' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.635 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' NZ ' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 HD13 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 44' ' ' GLN . 3.7 tp60 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.416 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.737 0.303 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.793 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.48 HG21 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.777 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 25' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.628 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' D' ' 28' ' ' MET . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' D' ' 24' ' ' SER . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.926 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 CA--C 1.524 -0.024 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.782 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.465 HG21 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 12' ' ' ARG . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.789 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.769 HD13 HD12 ' D' ' 25' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.632 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.579 ' NZ ' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.454 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.402 ' HE2' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' C' ' 44' ' ' GLN . 3.6 tp60 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.687 0.279 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.789 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.481 HG21 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.782 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' C' ' 25' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.631 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 28' ' ' MET . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.769 HD12 HD13 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' B' ' 24' ' ' SER . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.926 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.593 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 14' ' ' ASN . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' CG ' HG13 ' A' ' 9' ' ' VAL . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.657 ' HE1' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.657 ' HE2' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD12 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE2' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.766 ' CD2' HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 HD11 ' C' ' 27' ' ' LEU . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.476 HE21 HE22 ' A' ' 44' ' ' GLN . 25.0 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 HE22 HE21 ' A' ' 43' ' ' GLN . 1.1 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.67 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.837 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' B' ' 14' ' ' ASN . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' B' ' 9' ' ' VAL . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.643 ' HE1' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.643 ' HE2' ' HE1' ' B' ' 19' ' ' MET . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD11 HG13 ' D' ' 36' ' ' VAL . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.515 ' HE2' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.763 ' CD2' HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.464 HG13 HD11 ' D' ' 27' ' ' LEU . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.592 ' HA ' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . 0.444 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.766 0.317 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.667 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' C' ' 14' ' ' ASN . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.688 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' HG13 ' C' ' 9' ' ' VAL . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.659 ' HE1' ' HE2' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.659 ' HE2' ' HE1' ' C' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.618 HD12 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.528 ' HE2' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 27' ' ' LEU . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . 0.587 ' HA ' HE21 ' C' ' 41' ' ' GLN . 0.0 OUTLIER -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . 0.475 HE21 HE22 ' C' ' 44' ' ' GLN . 25.0 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . 0.475 HE22 HE21 ' C' ' 43' ' ' GLN . 1.1 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 . . . . . 0 C--O 1.23 0.027 0 CA-C-O 120.73 0.3 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' D' ' 14' ' ' ASN . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' D' ' 9' ' ' VAL . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.624 ' HE1' ' HE2' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.624 ' HE2' ' HE1' ' D' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.634 HD12 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' D' ' 28' ' ' MET . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.762 ' CD2' HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.467 HG13 HD11 ' B' ' 27' ' ' LEU . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' D' ' 41' ' ' GLN . 0.0 OUTLIER -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.718 0.294 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 9' ' ' VAL . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.447 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 30' ' ' LEU . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HE2' HD12 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.795 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG13 HD11 ' C' ' 27' ' ' LEU . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.685 0.279 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.674 HG21 HD13 ' B' ' 18' ' ' LEU . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.674 HD13 HG21 ' B' ' 9' ' ' VAL . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.647 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.77 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.451 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.459 ' O ' HD23 ' B' ' 30' ' ' LEU . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.437 ' HG3' HD13 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.774 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' D' ' 27' ' ' LEU . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.704 0.288 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.683 HG21 HD13 ' C' ' 18' ' ' LEU . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.683 HD13 HG21 ' C' ' 9' ' ' VAL . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.572 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.645 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.786 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.447 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.464 ' O ' HD23 ' C' ' 30' ' ' LEU . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.449 ' HE2' HD12 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 27' ' ' LEU . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.685 0.278 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.676 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.676 HD13 HG21 ' D' ' 9' ' ' VAL . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.647 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.777 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.451 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.462 ' O ' HD23 ' D' ' 30' ' ' LEU . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.436 ' HG3' HD13 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.775 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.41 HG13 HD11 ' B' ' 27' ' ' LEU . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.675 0.274 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.726 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.573 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.53 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 9.5 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' C' ' 27' ' ' LEU . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.015 0 CA-C-O 120.656 0.265 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.505 ' O ' HD12 ' B' ' 18' ' ' LEU . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.414 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.533 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 21' ' ' LEU . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 28' ' ' MET . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.925 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.933 HG21 HD21 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 9.5 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.459 -0.016 0 CA-C-O 120.693 0.282 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.727 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' TYR . . . . . 0.405 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' C' ' 18' ' ' LEU . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' MET . . . . . 0.572 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' SER . . . . . 0.53 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' C' ' 21' ' ' LEU . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLN . . . . . 0.604 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.229 0.025 0 CA-C-O 120.707 0.289 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' TYR . . . . . 0.417 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . 0.727 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ASN . . . . . 0.508 ' O ' HD12 ' D' ' 18' ' ' LEU . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' PHE . . . . . 0.792 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' GLU . . . . . 0.42 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' SER . . . . . 0.533 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' D' ' 21' ' ' LEU . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . 0.417 ' HG3' HD13 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.933 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . 0.925 HG21 HD21 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' B' ' 27' ' ' LEU . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' TYR . . . . . 0.414 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 9.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.88 -143.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 142.97 48.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.674 0.749 . . . . 0.0 110.623 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.1 17.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.449 -1.25 . . . . 0.0 110.523 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.97 56.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.778 -0.769 . . . . 0.0 109.452 176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -114.13 109.82 19.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.902 -177.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.3 20.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.58 -0.848 . . . . 0.0 110.337 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.726 HG21 HD13 ' A' ' 18' ' ' LEU . 36.5 t -120.91 126.39 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.421 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.3 tmt_? -97.13 137.26 36.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.47 . . . . 0.0 111.327 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.29 124.98 3.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.019 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.7 tpt180 -53.52 -50.4 65.54 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.3 -44.05 71.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.245 0.545 . . . . 0.0 110.847 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' OD1' HD12 ' A' ' 18' ' ' LEU . 60.6 t-20 -64.45 -48.02 76.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.2 t80 -59.56 -45.52 91.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.2 -44.57 96.29 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.752 ' CD1' ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -61.49 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.802 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -73.07 -37.07 66.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.114 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.707 ' HE1' ' HE3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -61.02 -49.9 75.52 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' D' ' 17' ' ' ILE . 5.8 tppt? -59.58 -34.85 73.24 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' C' ' 21' ' ' LEU . 4.4 tp -71.34 -38.71 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.412 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.707 ' HE3' ' HE1' ' A' ' 19' ' ' MET . 0.5 OUTLIER -59.66 -38.87 82.6 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.54 -44.73 77.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.11 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 95.2 p -62.95 -48.24 79.73 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.756 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 10.7 mt -64.21 -46.13 85.22 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.454 0.302 . . . . 0.0 111.636 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.0 mt-10 -65.4 -45.29 84.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.777 0.323 . . . . 0.0 111.455 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.742 HD13 ' SD ' ' C' ' 28' ' ' MET . 18.4 mt -63.54 -26.04 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.216 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.74 ' SD ' HD13 ' C' ' 27' ' ' LEU . 1.4 tpp -58.66 -13.21 5.3 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.272 -0.971 . . . . 0.0 112.41 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -89.1 -15.6 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.96 0.409 . . . . 0.0 110.305 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.823 HD21 HG11 ' C' ' 31' ' ' VAL . 0.1 OUTLIER -98.66 -1.85 39.79 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.795 -177.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.36 123.64 56.03 Favored Pre-proline 0 N--CA 1.45 -0.447 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.29 127.18 2.97 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.546 2.164 . . . . 0.0 112.5 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.587 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 64.7 tt0 -51.09 -47.98 86.18 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.595 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.0 Cg_endo -59.51 -30.75 93.26 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.971 1.78 . . . . 0.0 113.258 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.3 tp -77.39 -33.43 55.09 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.289 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG13 HD11 ' C' ' 27' ' ' LEU . 50.6 t -70.97 -39.12 74.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.15 -44.05 87.69 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.35 -43.67 92.75 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.585 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.88 -46.18 90.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.946 0.403 . . . . 0.0 110.336 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -56.04 -32.7 64.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.29 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.69 -48.88 65.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.83 -30.49 68.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.993 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' HG2' HE22 ' A' ' 47' ' ' GLN . 12.8 tt0 -83.72 -28.9 27.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.155 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.2 tp60 -67.03 -21.4 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.71 -48.03 69.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.59 131.58 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.163 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.53 HE22 ' HG2' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -87.78 -3.24 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.901 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.74 8.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.87 -143.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.134 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.38 142.93 48.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.684 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 62.6 m-85 -125.95 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.483 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.1 127.9 56.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.491 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -114.01 109.81 19.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.2 114.33 20.63 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.255 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.734 HG21 HD13 ' B' ' 18' ' ' LEU . 35.9 t -120.88 126.39 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.45 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.3 tmt_? -97.12 137.3 36.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 0.0 111.346 -177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.099 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.35 -50.48 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.37 -43.99 71.84 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.233 0.54 . . . . 0.0 110.841 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.507 ' OD1' HD12 ' B' ' 18' ' ' LEU . 60.6 t-20 -64.47 -48.04 76.75 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.944 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.1 t80 -59.47 -45.5 91.48 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.884 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.53 96.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -61.49 -44.99 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 1.03 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -73.16 -37.06 66.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.695 ' HE1' ' HE3' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -61.01 -49.85 75.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -179.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.753 ' HG2' ' CD1' ' C' ' 17' ' ' ILE . 5.8 tppt? -59.61 -34.85 73.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' D' ' 21' ' ' LEU . 4.4 tp -71.35 -38.68 71.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.413 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.695 ' HE3' ' HE1' ' B' ' 19' ' ' MET . 0.5 OUTLIER -59.65 -38.83 82.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.099 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' D' ' 28' ' ' MET . 95.7 p -62.87 -48.28 79.68 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.756 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 10.7 mt -64.25 -46.13 85.11 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.458 0.303 . . . . 0.0 111.65 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.37 -45.27 84.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.498 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.758 HD13 ' SD ' ' D' ' 28' ' ' MET . 18.4 mt -63.53 -26.11 68.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.172 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.754 ' SD ' HD13 ' D' ' 27' ' ' LEU . 1.3 tpp -58.65 -13.18 5.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.2 -1.0 . . . . 0.0 112.415 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -89.13 -15.53 33.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.339 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' D' ' 31' ' ' VAL . 0.1 OUTLIER -98.75 -1.77 39.71 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.758 -177.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.39 123.69 55.81 Favored Pre-proline 0 N--CA 1.451 -0.395 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.25 127.19 2.93 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.569 2.179 . . . . 0.0 112.5 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.94 86.65 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.569 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 18.0 Cg_endo -59.52 -30.73 93.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.003 1.802 . . . . 0.0 113.179 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.4 tp -77.41 -33.49 54.99 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.873 0.368 . . . . 0.0 110.28 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 50.8 t -70.83 -39.23 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.19 -43.98 87.84 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.29 -43.74 92.55 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.598 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.87 -46.21 90.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 99.6 mtt180 -55.98 -32.72 64.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.295 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.67 -48.98 65.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.72 -30.53 68.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.22 0.533 . . . . 0.0 110.019 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.525 ' HG2' HE22 ' B' ' 47' ' ' GLN . 12.7 tt0 -83.67 -28.94 28.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.164 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 3.2 tp60 -66.99 -21.43 65.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.479 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.63 -48.06 69.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.62 131.53 4.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 0.0 111.25 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.525 HE22 ' HG2' ' B' ' 43' ' ' GLN . 0.6 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.648 179.704 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.855 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.79 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -168.81 8.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.83 -143.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.138 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.25 142.91 48.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.721 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.5 m-85 -125.96 166.08 17.58 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.437 -1.256 . . . . 0.0 110.505 -177.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.02 128.01 56.2 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.816 -0.753 . . . . 0.0 109.446 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.817 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -114.16 109.8 18.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.862 -177.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.33 20.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.3 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 36.3 t -120.94 126.43 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 -178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.685 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.3 tmt_? -97.1 137.33 36.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.033 0.444 . . . . 0.0 111.334 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.529 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.2 124.87 3.78 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.997 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.7 tpt180 -53.44 -50.42 65.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.34 -44.02 71.76 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.288 0.566 . . . . 0.0 110.851 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.503 ' OD1' HD12 ' C' ' 18' ' ' LEU . 60.6 t-20 -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.956 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.0 t80 -59.44 -45.49 91.41 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.866 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.23 -44.51 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.753 ' CD1' ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -61.54 -44.99 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -73.1 -37.08 66.86 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.12 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.708 ' HE1' ' HE3' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -61.07 -49.82 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.169 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.765 ' HG2' ' CD1' ' B' ' 17' ' ' ILE . 5.8 tppt? -59.59 -34.85 73.25 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.959 HD13 HD13 ' A' ' 21' ' ' LEU . 4.3 tp -71.32 -38.76 71.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.381 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.708 ' HE3' ' HE1' ' C' ' 19' ' ' MET . 0.5 OUTLIER -59.63 -38.84 82.46 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -67.62 -44.7 77.4 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.044 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 95.3 p -62.95 -48.25 79.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.751 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.485 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 10.7 mt -64.24 -46.12 85.17 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.639 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.33 -45.34 84.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 111.454 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.74 HD13 ' SD ' ' A' ' 28' ' ' MET . 18.4 mt -63.56 -25.96 68.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 27' ' ' LEU . 1.4 tpp -58.76 -13.15 5.33 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.27 -0.972 . . . . 0.0 112.363 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.2 pt-20 -89.18 -15.59 33.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.967 0.413 . . . . 0.0 110.276 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.82 HD21 HG11 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -98.69 -1.8 39.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.808 -177.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.99 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.37 123.73 55.73 Favored Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -41.33 127.22 3.03 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.578 2.185 . . . . 0.0 112.468 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.585 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 64.6 tt0 -51.18 -47.99 86.51 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.538 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 18.0 Cg_endo -59.45 -30.68 93.21 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.961 1.774 . . . . 0.0 113.255 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.3 tp -77.45 -33.49 54.74 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.259 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -70.86 -39.2 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.21 -43.99 87.94 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -59.37 -43.73 92.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.51 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -61.75 -46.28 90.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.929 0.395 . . . . 0.0 110.386 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.96 -32.73 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.279 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.69 -48.99 65.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.56 68.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.01 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.534 ' HG2' HE22 ' C' ' 47' ' ' GLN . 12.8 tt0 -83.62 -28.92 28.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.209 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 3.2 tp60 -66.98 -21.4 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.539 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.62 -48.05 69.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.741 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.66 131.6 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 111.185 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.534 HE22 ' HG2' ' C' ' 43' ' ' GLN . 0.6 OUTLIER -87.8 -3.26 58.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.679 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.869 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -168.77 8.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.74 -143.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.136 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.27 143.02 48.91 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.746 0.784 . . . . 0.0 110.663 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 62.6 m-85 -126.04 166.1 17.59 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.444 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -114.04 127.96 56.17 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.51 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -114.11 109.78 18.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.935 -177.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.15 114.34 20.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.291 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' D' ' 18' ' ' LEU . 36.1 t -120.92 126.44 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.442 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.3 tmt_? -97.18 137.32 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.315 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.24 124.92 3.81 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.019 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -53.41 -50.46 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.38 -43.99 71.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.258 0.552 . . . . 0.0 110.868 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.511 ' OD1' HD12 ' D' ' 18' ' ' LEU . 60.6 t-20 -64.41 -48.13 76.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.925 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.817 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.1 t80 -59.44 -45.52 91.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.826 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.19 -44.48 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.765 ' CD1' ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -61.55 -45.04 99.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.829 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 1.032 HD23 HD23 ' C' ' 18' ' ' LEU . 1.6 mt -73.05 -37.14 66.96 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.699 ' HE1' ' HE3' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -60.95 -49.88 75.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.752 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 5.9 tppt? -59.59 -34.87 73.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' B' ' 21' ' ' LEU . 4.4 tp -71.34 -38.77 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.412 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.699 ' HE3' ' HE1' ' D' ' 19' ' ' MET . 0.5 OUTLIER -59.59 -38.88 82.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -67.59 -44.73 77.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.092 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.401 ' HA ' ' HE3' ' B' ' 28' ' ' MET . 95.2 p -62.86 -48.23 79.93 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.82 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.479 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 10.7 mt -64.27 -46.12 85.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.67 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.35 -45.27 84.85 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.767 0.318 . . . . 0.0 111.501 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' B' ' 28' ' ' MET . 18.4 mt -63.58 -26.05 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.758 ' SD ' HD13 ' B' ' 27' ' ' LEU . 1.4 tpp -58.68 -13.14 5.17 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.394 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.2 pt-20 -89.14 -15.61 33.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.002 0.429 . . . . 0.0 110.29 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.826 HD21 HG11 ' B' ' 31' ' ' VAL . 0.1 OUTLIER -98.68 -1.89 39.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.736 -177.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.976 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.31 123.68 56.01 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.3 127.29 3.0 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.503 2.135 . . . . 0.0 112.501 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 64.5 tt0 -51.26 -47.94 86.95 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.542 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.2 Cg_endo -59.49 -30.75 93.31 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.011 1.808 . . . . 0.0 113.262 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.4 tp -77.33 -33.47 55.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 110.343 -179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' B' ' 27' ' ' LEU . 50.7 t -70.89 -39.17 74.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -58.22 -44.04 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.0 t -59.33 -43.63 92.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.585 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.87 -46.24 90.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.924 0.392 . . . . 0.0 110.345 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 99.6 mtt180 -55.97 -32.7 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.274 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -67.71 -48.92 65.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.77 -30.58 68.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.967 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.526 ' HG2' HE22 ' D' ' 47' ' ' GLN . 12.7 tt0 -83.68 -28.85 28.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.177 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 3.3 tp60 -67.09 -21.38 65.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.479 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.59 -48.17 69.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 pp -162.54 131.56 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.195 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.526 HE22 ' HG2' ' D' ' 43' ' ' GLN . 0.6 OUTLIER -87.75 -3.27 58.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.636 179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.882 -179.74 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.71 -150.41 0.08 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.45 -157.23 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 122.483 0.313 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.4 140.56 48.44 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.928 0.87 . . . . 0.0 111.606 -179.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.34 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.63 125.71 54.07 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.464 176.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.8 OUTLIER -111.67 110.04 20.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.894 -177.356 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.1 tt0 -81.83 112.1 18.66 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.593 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' A' ' 18' ' ' LEU . 17.7 t -118.24 125.76 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.346 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.21 137.23 36.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.169 0.509 . . . . 0.0 110.993 -178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.93 125.02 3.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.814 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.58 -49.14 68.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -52.86 -46.24 67.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 111.721 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' CG ' HG13 ' A' ' 9' ' ' VAL . 47.5 t-20 -65.1 -47.14 78.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.4 t80 -56.08 -45.79 79.23 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.346 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.22 -46.05 88.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.678 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -73.94 -37.19 64.65 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.132 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.66 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -63.23 -49.53 73.82 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 20' ' ' LYS . 7.9 tmtm? -58.16 -36.71 73.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -70.44 -40.01 74.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.326 -1.306 . . . . 0.0 111.481 -179.717 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' B' ' 8' ' ' GLN . 0.0 OUTLIER -55.33 -38.53 68.85 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' C' ' 24' ' ' SER . 98.4 p -62.0 -48.85 78.47 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD12 HD13 ' B' ' 18' ' ' LEU . 13.1 mt -63.73 -45.47 89.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.632 0.253 . . . . 0.0 111.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 27.4 mt-10 -67.64 -42.54 82.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.256 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 30' ' ' LEU . 29.8 mt -65.76 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.547 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' C' ' 24' ' ' SER . 21.0 ttm -55.38 -13.68 1.54 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.287 -0.965 . . . . 0.0 111.206 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt-20 -90.04 -23.88 21.34 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.34 3.55 51.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.016 0.436 . . . . 0.0 111.267 -178.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' C' ' 30' ' ' LEU . 3.2 p -98.89 123.86 47.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.08 128.91 2.99 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.283 1.988 . . . . 0.0 112.035 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 30.2 tt0 -47.74 -45.4 59.96 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.544 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 61.4 Cg_exo -52.94 -30.32 47.8 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.101 1.867 . . . . 0.0 113.086 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.0 OUTLIER -77.27 -34.74 55.64 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.1 -179.22 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.67 -40.66 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.049 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.26 -46.29 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.8 t -60.2 -44.31 95.22 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.089 -0.245 . . . . 0.0 111.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.16 -46.58 88.35 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -33.99 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.541 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.29 -49.42 60.56 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.92 -25.31 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.864 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.67 -40.15 29.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.307 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -60.55 -23.33 64.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 5.4 tp -56.34 -49.79 73.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.532 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 48.4 mt -134.17 88.47 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' NE2' ' HE2' ' C' ' 19' ' ' MET . 0.1 OUTLIER -85.07 37.88 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 0.0 109.904 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.995 -1.003 . . . . 0.0 111.073 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.834 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.74 -150.49 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.509 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.56 -157.16 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.005 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.51 140.53 48.24 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.929 0.871 . . . . 0.0 111.588 -179.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.7 m-85 -126.38 166.36 17.33 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.978 -1.465 . . . . 0.0 110.29 -178.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.67 125.68 54.01 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.472 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -111.66 110.05 20.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.878 -177.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.666 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.1 tt0 -81.86 112.08 18.66 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 119.964 -0.694 . . . . 0.0 110.571 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.525 HG21 HD22 ' B' ' 18' ' ' LEU . 17.5 t -118.22 125.75 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.302 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -97.15 137.14 36.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.216 0.531 . . . . 0.0 111.008 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.91 125.15 3.44 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.798 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.73 -49.09 68.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.87 -46.23 67.79 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.728 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.408 ' CG ' HG13 ' B' ' 9' ' ' VAL . 47.4 t-20 -65.16 -47.14 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.05 0.453 . . . . 0.0 110.387 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.69 79.56 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.325 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.19 -46.13 88.52 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.12 -43.66 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.71 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.722 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.7 mp -74.05 -37.14 64.38 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.147 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.653 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.24 -49.5 73.92 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.25 -36.65 73.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -70.38 -40.08 74.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.476 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -55.31 -38.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -45.06 79.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.529 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.469 ' C ' ' HB2' ' D' ' 24' ' ' SER . 98.2 p -62.02 -48.81 78.63 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 18' ' ' LEU . 13.0 mt -63.74 -45.46 89.78 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.625 0.25 . . . . 0.0 111.318 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 27.5 mt-10 -67.6 -42.59 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.217 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' B' ' 30' ' ' LEU . 29.9 mt -65.77 -31.12 71.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.513 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.409 ' HE2' HD12 ' D' ' 27' ' ' LEU . 21.1 ttm -55.37 -13.66 1.52 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.242 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.09 -23.78 21.3 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.46 52.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.874 0.368 . . . . 0.0 111.206 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.929 HG21 HD21 ' D' ' 30' ' ' LEU . 3.2 p -98.78 123.85 48.08 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.09 128.84 3.0 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.315 2.01 . . . . 0.0 111.955 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.432 ' N ' ' CD ' ' B' ' 34' ' ' PRO . 30.2 tt0 -47.67 -45.41 59.21 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.533 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' B' ' 33' ' ' GLN . 61.2 Cg_exo -52.94 -30.36 47.94 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.102 1.868 . . . . 0.0 113.073 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.1 mt -77.3 -34.65 55.44 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.131 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.74 -40.63 79.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.051 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.28 -46.25 90.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.17 -44.35 95.11 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.559 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.2 -46.53 88.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.84 0.352 . . . . 0.0 110.784 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.01 64.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.581 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.48 60.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.95 -25.26 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.938 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -79.69 -40.07 29.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.342 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -60.54 -23.41 64.58 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.082 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 5.4 tp -56.28 -49.75 73.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.567 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.436 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 49.2 mt -134.17 88.48 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.477 ' NE2' ' HE2' ' D' ' 19' ' ' MET . 0.1 OUTLIER -85.09 38.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.161 0.505 . . . . 0.0 109.945 179.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.994 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.78 -150.51 0.08 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.48 -157.2 0.14 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.48 140.56 48.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.963 0.887 . . . . 0.0 111.632 -179.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.6 m-85 -126.39 166.29 17.47 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.95 -1.477 . . . . 0.0 110.34 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.61 125.65 54.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.512 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.8 OUTLIER -111.63 110.12 20.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.888 -177.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.86 112.12 18.69 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.509 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.538 HG21 HD22 ' C' ' 18' ' ' LEU . 17.5 t -118.26 125.75 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.17 137.17 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.141 0.496 . . . . 0.0 110.98 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.532 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.81 125.16 3.41 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.797 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.75 -49.03 69.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.91 -46.3 67.98 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.727 0.298 . . . . 0.0 111.66 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.415 ' CG ' HG13 ' C' ' 9' ' ' VAL . 47.4 t-20 -65.05 -47.25 78.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.057 0.456 . . . . 0.0 110.377 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.3 t80 -56.06 -45.79 79.17 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.18 -46.1 88.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.09 -43.71 98.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.712 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.7 mp -74.01 -37.12 64.49 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.162 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.662 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -63.27 -49.48 73.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.2 -36.64 73.41 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -70.41 -40.08 74.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.35 -1.295 . . . . 0.0 111.452 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' D' ' 8' ' ' GLN . 0.0 OUTLIER -55.32 -38.59 68.89 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.77 -45.08 79.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.601 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' A' ' 24' ' ' SER . 98.4 p -62.01 -48.76 78.87 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.511 HD12 HD13 ' D' ' 18' ' ' LEU . 13.1 mt -63.79 -45.4 89.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 111.323 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 27.6 mt-10 -67.67 -42.51 82.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.275 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' C' ' 30' ' ' LEU . 29.7 mt -65.84 -31.06 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.533 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 21.1 ttm -55.44 -13.57 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.18 -23.81 21.2 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.31 3.46 52.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.919 0.39 . . . . 0.0 111.206 -178.346 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 3.2 p -98.78 123.89 47.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -41.03 128.83 2.92 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.336 2.024 . . . . 0.0 111.993 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 30.2 tt0 -47.65 -45.46 59.04 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.529 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 61.6 Cg_exo -52.94 -30.31 47.74 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.095 1.864 . . . . 0.0 113.097 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.543 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.1 mt -77.3 -34.73 55.46 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.042 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.68 -40.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.077 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.27 -46.25 90.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.6 t -60.19 -44.32 95.18 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.559 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -62.14 -46.62 88.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.855 0.36 . . . . 0.0 110.78 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.73 -34.02 64.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.542 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.19 -49.48 60.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -59.97 -25.31 65.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.866 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -79.62 -40.13 29.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.61 -23.29 64.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.062 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.433 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 5.3 tp -56.32 -49.75 73.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.555 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.433 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 48.9 mt -134.19 88.48 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.473 ' NE2' ' HE2' ' A' ' 19' ' ' MET . 0.1 OUTLIER -85.13 37.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.205 0.526 . . . . 0.0 109.985 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.017 -0.992 . . . . 0.0 111.042 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -169.8 -150.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 t70 70.49 -157.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.35 140.57 48.54 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.938 0.875 . . . . 0.0 111.617 -179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.3 m-85 -126.4 166.3 17.44 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.996 -1.456 . . . . 0.0 110.333 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.6 125.7 54.06 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.529 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.8 OUTLIER -111.71 110.02 20.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.882 -177.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.665 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.1 tt0 -81.81 112.12 18.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.618 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' D' ' 18' ' ' LEU . 17.7 t -118.26 125.78 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.292 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.2 137.27 36.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 110.968 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.87 125.09 3.41 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.791 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -53.66 -49.15 68.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.84 -46.26 67.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.689 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.409 ' CG ' HG13 ' D' ' 9' ' ' VAL . 47.4 t-20 -65.12 -47.14 78.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.043 0.449 . . . . 0.0 110.429 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.4 t80 -56.16 -45.7 79.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.302 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.24 -46.06 88.66 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.16 -43.67 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.642 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.723 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.7 mp -74.07 -37.1 64.35 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.118 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.654 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -63.34 -49.46 73.85 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -58.14 -36.71 73.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -70.37 -40.08 74.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.474 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' C' ' 8' ' ' GLN . 0.0 OUTLIER -55.4 -38.55 69.06 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.82 -45.04 79.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.586 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.469 ' HB2' ' C ' ' B' ' 24' ' ' SER . 98.3 p -62.03 -48.73 78.96 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' C' ' 18' ' ' LEU . 13.0 mt -63.81 -45.42 89.73 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.639 0.256 . . . . 0.0 111.295 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 27.5 mt-10 -67.59 -42.6 82.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.308 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' D' ' 30' ' ' LEU . 29.8 mt -65.78 -31.05 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.547 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.9 ttm -55.46 -13.55 1.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.292 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.6 pt-20 -90.14 -23.74 21.26 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.929 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.36 3.43 52.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.961 0.41 . . . . 0.0 111.215 -178.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' B' ' 30' ' ' LEU . 3.3 p -98.77 123.82 48.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.03 128.8 2.92 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.339 2.026 . . . . 0.0 112.029 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.435 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 30.2 tt0 -47.63 -45.41 58.75 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.548 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.435 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 62.2 Cg_exo -52.99 -30.31 48.17 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 122.14 1.893 . . . . 0.0 113.04 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.1 mt -77.27 -34.71 55.67 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.075 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.7 t -69.79 -40.58 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.082 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.31 -46.29 90.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -60.12 -44.37 94.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.542 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -62.13 -46.64 88.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.888 0.375 . . . . 0.0 110.784 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.68 -34.02 64.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.593 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.22 -49.44 60.73 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.0 -25.29 65.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.863 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -79.63 -40.15 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.301 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -60.55 -23.4 64.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.438 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 5.3 tp -56.19 -49.85 72.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.591 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.438 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 48.5 mt -134.12 88.51 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.181 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.477 ' NE2' ' HE2' ' B' ' 19' ' ' MET . 0.1 OUTLIER -85.08 37.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.148 0.499 . . . . 0.0 109.947 179.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.026 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -168.34 11.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.43 -144.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.103 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.79 50.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.594 0.711 . . . . 0.0 110.37 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 57.5 m-85 -127.01 164.3 21.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.045 -177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.52 127.51 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.393 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -114.84 111.34 21.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.847 -177.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.676 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -86.19 116.91 24.68 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.27 -179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 18' ' ' LEU . 5.5 t -122.33 126.65 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.687 -178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.77 136.62 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.14 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.98 124.47 3.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.905 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -54.12 -48.13 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.03 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.986 0.422 . . . . 0.0 110.891 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.483 ' ND2' ' HG3' ' B' ' 26' ' ' GLU . 43.7 t-20 -66.61 -45.43 79.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -64.2 -49.73 70.88 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.743 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -57.76 -38.12 74.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.3 -44.9 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -76.16 -28.36 57.33 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.954 -179.061 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.92 41.6 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 7.1 tmtm? -65.03 -27.11 68.58 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.892 -1.522 . . . . 0.0 106.892 177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' C' ' 21' ' ' LEU . 9.8 tp -75.18 -43.55 51.55 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.209 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.09 -37.01 66.26 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 27' ' ' LEU . 37.8 tt0 -64.55 -46.07 84.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.051 -1.431 . . . . 0.0 110.445 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.435 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.5 p -64.07 -47.86 78.47 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' B' ' 18' ' ' LEU . 12.4 mt -64.86 -44.89 88.24 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 38.7 mt-10 -70.76 -37.43 73.39 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.183 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 23' ' ' GLU . 14.5 mt -70.12 -17.36 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.962 0.411 . . . . 0.0 110.715 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' MET . 16.3 ttm -70.85 -11.52 61.01 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.661 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.0 pt-20 -89.62 -19.05 25.38 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.868 HD21 HG21 ' C' ' 31' ' ' VAL . 0.4 OUTLIER -99.26 8.84 44.39 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -177.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.874 HG21 HD21 ' C' ' 30' ' ' LEU . 4.0 p -99.65 123.45 47.81 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.441 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HB2' HD12 ' A' ' 35' ' ' LEU . 85.1 Cg_exo -40.25 126.63 2.05 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.255 1.97 . . . . 0.0 111.618 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.9 tp60 -49.04 -45.8 74.92 Favored Pre-proline 0 CA--C 1.532 0.27 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 50.0 Cg_exo -53.9 -26.05 38.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.621 1.547 . . . . 0.0 112.654 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' C' ' 30' ' ' LEU . 1.2 mt -79.6 -32.34 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 HD11 ' C' ' 27' ' ' LEU . 51.8 t -68.98 -45.82 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -58.62 -45.3 89.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.56 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.1 t -60.12 -43.97 95.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.203 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.34 -46.34 90.66 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.031 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.45 -41.84 73.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.098 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.75 -48.28 81.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.603 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.65 -28.61 69.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.401 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.83 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.738 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -22.66 65.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.158 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD23 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -55.66 -43.1 75.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.614 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' HG ' HD23 ' A' ' 45' ' ' LEU . 87.9 mt -115.04 -71.37 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.467 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.77 38.35 29.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.021 0.438 . . . . 0.0 110.249 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.6 pt-20 -168.38 11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.31 -144.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.095 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.695 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.32 143.81 50.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.655 0.74 . . . . 0.0 110.334 179.534 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.676 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 57.8 m-85 -127.04 164.18 22.1 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.127 -177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.404 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.9 m-85 -113.42 127.41 56.1 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.431 176.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -114.8 111.21 20.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.855 -177.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -86.01 116.88 24.5 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.518 -0.873 . . . . 0.0 109.322 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.526 HG21 HD22 ' B' ' 18' ' ' LEU . 5.3 t -122.44 126.71 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.631 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.75 136.65 36.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.96 124.48 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.932 -179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -54.2 -48.13 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.43 -46.07 66.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.883 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 43.3 t-20 -66.65 -45.41 79.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.73 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.68 70.78 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.717 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.79 -38.04 74.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -68.38 -44.86 83.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 121.139 0.495 . . . . 0.0 109.831 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.71 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -76.18 -28.42 57.29 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.884 -179.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.63 -45.95 41.48 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 7.1 tmtm? -65.05 -27.08 68.55 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' D' ' 21' ' ' LEU . 9.8 tp -75.23 -43.54 51.19 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.152 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -37.04 66.18 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' B' ' 27' ' ' LEU . 37.9 tt0 -64.58 -46.07 84.33 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.449 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' D' ' 24' ' ' SER . 89.5 p -64.0 -47.91 78.45 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 18' ' ' LEU . 12.5 mt -64.81 -44.95 88.21 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 38.7 mt-10 -70.73 -37.51 73.49 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' B' ' 23' ' ' GLU . 14.5 mt -69.99 -17.49 63.29 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.719 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' B' ' 28' ' ' MET . 16.1 ttm -70.71 -11.62 61.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.696 -0.802 . . . . 0.0 110.664 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.1 pt-20 -89.61 -19.0 25.45 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.879 HD21 HG21 ' D' ' 31' ' ' VAL . 0.4 OUTLIER -99.36 8.96 44.19 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.168 0.509 . . . . 0.0 111.125 -177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.876 HG21 HD21 ' D' ' 30' ' ' LEU . 3.9 p -99.72 123.46 47.65 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.39 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.401 ' HB2' HD12 ' B' ' 35' ' ' LEU . 85.4 Cg_exo -40.31 126.73 2.1 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.2 1.934 . . . . 0.0 111.639 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -49.14 -45.77 75.59 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.2 Cg_exo -53.9 -26.08 38.31 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 121.629 1.552 . . . . 0.0 112.631 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' D' ' 30' ' ' LEU . 1.2 mt -79.6 -32.3 41.86 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.441 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' D' ' 27' ' ' LEU . 51.9 t -69.0 -45.84 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.65 -45.25 89.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.601 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.1 -44.02 95.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.3 -46.39 90.49 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.031 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.32 -41.93 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.127 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.73 -48.25 81.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.665 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.57 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.441 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -35.91 45.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.747 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -22.67 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.218 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.512 HD23 ' HG ' ' B' ' 46' ' ' LEU . 0.9 OUTLIER -55.67 -43.08 75.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.7 179.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.512 ' HG ' HD23 ' B' ' 45' ' ' LEU . 88.4 mt -115.06 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.466 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.7 38.49 29.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.126 0.489 . . . . 0.0 110.28 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.415 -0.803 . . . . 0.0 111.025 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.6 pt-20 -168.37 11.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.39 -144.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.094 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.704 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.3 143.82 50.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.318 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 57.8 m-85 -127.05 164.25 21.97 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.559 -1.2 . . . . 0.0 111.095 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 5.0 m-85 -113.51 127.5 56.11 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.354 176.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.826 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.5 OUTLIER -114.81 111.32 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.825 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.68 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -86.17 116.92 24.67 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.272 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.515 HG21 HD22 ' C' ' 18' ' ' LEU . 5.3 t -122.4 126.64 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.631 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.691 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.78 136.63 37.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.107 -177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.93 124.53 3.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.599 -0.81 . . . . 0.0 111.904 -179.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.18 -48.16 71.24 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.44 -46.07 66.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.481 ' ND2' ' HG3' ' D' ' 26' ' ' GLU . 43.6 t-20 -66.57 -45.42 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.832 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.834 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.6 t80 -64.33 -49.69 70.72 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.725 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -57.7 -38.07 74.56 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -68.44 -44.81 83.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 109.837 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -76.23 -28.36 57.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.904 -179.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.65 -45.98 41.18 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 7.1 tmtm? -65.0 -27.12 68.61 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 9.8 tp -75.22 -43.53 51.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.172 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.01 -37.06 66.13 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' C' ' 27' ' ' LEU . 37.8 tt0 -64.57 -46.04 84.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.006 -1.452 . . . . 0.0 110.446 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.435 ' HB2' ' C ' ' A' ' 24' ' ' SER . 89.6 p -64.07 -47.92 78.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.636 HD12 HD13 ' D' ' 18' ' ' LEU . 12.4 mt -64.79 -44.97 88.23 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 38.8 mt-10 -70.71 -37.56 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.153 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' C' ' 23' ' ' GLU . 14.5 mt -69.98 -17.5 63.3 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 110.718 179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' C' ' 28' ' ' MET . 16.2 ttm -70.74 -11.58 61.03 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.664 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.0 pt-20 -89.64 -19.05 25.36 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.874 HD21 HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -99.23 8.82 44.43 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.218 0.533 . . . . 0.0 111.176 -177.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.868 HG21 HD21 ' A' ' 30' ' ' LEU . 4.0 p -99.57 123.5 47.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.42 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD12 ' C' ' 35' ' ' LEU . 85.2 Cg_exo -40.32 126.71 2.11 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.609 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -49.1 -45.81 75.32 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.0 Cg_exo -53.88 -26.07 38.15 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.707 1.605 . . . . 0.0 112.608 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' A' ' 30' ' ' LEU . 1.2 mt -79.66 -32.29 41.52 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.443 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 51.9 t -68.97 -45.85 79.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.69 -45.21 89.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.577 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.09 -44.08 95.06 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 111.182 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.22 -46.44 90.42 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.046 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.41 -41.8 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.12 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.78 -48.24 81.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.569 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.72 -28.6 69.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.445 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -35.87 45.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.722 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.226 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.504 HD23 ' HG ' ' C' ' 46' ' ' LEU . 0.9 OUTLIER -55.73 -43.05 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.646 179.576 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.504 ' HG ' HD23 ' C' ' 45' ' ' LEU . 88.2 mt -115.06 -71.34 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.44 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.64 38.53 29.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.017 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.405 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -168.31 11.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.33 -144.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.691 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.4 143.7 50.06 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.667 0.746 . . . . 0.0 110.312 179.612 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.68 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 57.6 m-85 -126.91 164.3 21.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.084 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.408 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.9 m-85 -113.55 127.5 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.377 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.834 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.5 OUTLIER -114.86 111.28 20.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.867 -177.831 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -86.1 116.88 24.59 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.261 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.528 HG21 HD22 ' D' ' 18' ' ' LEU . 5.4 t -122.41 126.67 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.638 -178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.704 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.81 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.127 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.97 124.56 3.33 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.902 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -54.21 -48.08 71.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -52.53 -46.05 66.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.843 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HG3' ' C' ' 26' ' ' GLU . 43.8 t-20 -66.54 -45.43 79.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.826 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.5 t80 -64.32 -49.73 70.59 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.659 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.76 -38.01 74.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.601 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -68.37 -44.89 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.167 0.508 . . . . 0.0 109.883 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.712 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -76.19 -28.36 57.25 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.917 -179.085 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.551 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.66 -45.87 41.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.1 tmtm? -65.12 -27.05 68.48 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 1.127 HD21 HD21 ' B' ' 21' ' ' LEU . 9.8 tp -75.27 -43.4 51.51 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.282 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -37.03 66.25 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.622 ' HG2' HD12 ' D' ' 27' ' ' LEU . 37.9 tt0 -64.61 -45.92 84.84 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.502 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' B' ' 24' ' ' SER . 89.6 p -64.13 -47.92 78.07 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.646 HD12 HD13 ' C' ' 18' ' ' LEU . 12.5 mt -64.75 -44.91 88.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.73 0.3 . . . . 0.0 110.3 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 38.8 mt-10 -70.76 -37.44 73.38 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.178 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' D' ' 23' ' ' GLU . 14.5 mt -70.08 -17.48 63.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.915 0.388 . . . . 0.0 110.681 179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.437 ' O ' ' HG2' ' D' ' 28' ' ' MET . 16.0 ttm -70.75 -11.64 61.07 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.676 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.0 pt-20 -89.56 -19.0 25.52 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.876 HD21 HG21 ' B' ' 31' ' ' VAL . 0.4 OUTLIER -99.3 8.89 44.31 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.194 0.521 . . . . 0.0 111.145 -177.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.879 HG21 HD21 ' B' ' 30' ' ' LEU . 3.9 p -99.66 123.48 47.68 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.401 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.27 126.76 2.09 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.232 1.955 . . . . 0.0 111.577 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.443 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -49.11 -45.82 75.42 Favored Pre-proline 0 CA--C 1.531 0.233 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.3 Cg_exo -53.89 -26.08 38.25 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.668 1.579 . . . . 0.0 112.613 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.535 ' HB3' HD11 ' B' ' 30' ' ' LEU . 1.2 mt -79.63 -32.37 41.71 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' B' ' 27' ' ' LEU . 51.7 t -68.98 -45.76 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -58.7 -45.22 90.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 46.9 t -60.19 -43.99 95.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.9 0.381 . . . . 0.0 111.166 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -61.31 -46.38 90.54 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.062 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -55.44 -41.79 73.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.068 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -58.8 -48.2 82.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.584 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.8 -28.49 69.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.437 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.94 45.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.733 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.78 -22.72 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.244 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.511 HD23 ' HG ' ' D' ' 46' ' ' LEU . 0.9 OUTLIER -55.62 -43.14 75.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.7 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.511 ' HG ' HD23 ' D' ' 45' ' ' LEU . 88.4 mt -115.0 -71.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.467 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.72 38.43 29.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 0.0 110.296 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.474 -0.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.878 0.371 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.4 pt-20 -163.11 21.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.33 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.147 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.24 48.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.707 0.765 . . . . 0.0 110.773 179.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.2 m-85 -126.58 166.35 17.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.623 -177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.22 126.97 55.18 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.841 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.5 OUTLIER -112.18 109.37 19.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.523 -177.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.93 21.12 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.56 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.4 t -120.53 126.33 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.51 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.0 tmt_? -97.08 138.42 34.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.001 0.429 . . . . 0.0 110.87 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.13 124.09 3.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.822 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.62 -48.95 68.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.22 -47.11 69.24 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 51.3 m-20 -66.04 -44.35 84.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.841 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.802 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.8 t80 -57.73 -45.65 85.52 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -45.91 89.83 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.87 -43.93 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.6 mt -73.33 -38.45 65.78 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.053 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -49.17 78.18 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.64 -33.96 70.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.41 -43.02 67.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.081 179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' B' ' 9' ' ' VAL . 3.6 ttmt -53.73 -38.41 64.32 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.94 -45.07 90.82 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 113.832 -1.531 . . . . 0.0 109.736 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.576 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.0 OUTLIER -64.91 -51.62 60.89 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 27.0 mt -60.81 -45.52 94.1 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 25.9 mt-10 -67.47 -41.98 83.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.824 0.345 . . . . 0.0 111.672 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.1 mt -61.61 -33.67 74.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.65 ' HE3' HD12 ' C' ' 27' ' ' LEU . 24.2 mtp -54.28 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.872 -1.131 . . . . 0.0 112.411 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.3 pt-20 -89.96 -22.95 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.36 0.527 . . . . 0.0 111.935 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.91 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.14 -1.41 58.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.125 0.488 . . . . 0.0 110.857 -178.252 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -100.15 123.93 45.1 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -40.69 126.44 2.3 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.225 1.95 . . . . 0.0 112.055 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 6.3 tp-100 -50.24 -46.39 83.22 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.378 -179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 46.2 Cg_exo -57.06 -29.97 85.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.015 1.81 . . . . 0.0 112.801 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.567 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 28.9 tp -77.05 -32.86 57.19 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.249 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.601 HG13 HD11 ' C' ' 27' ' ' LEU . 63.0 t -70.72 -39.86 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.09 87.64 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.34 -44.01 92.69 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.752 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.985 0.422 . . . . 0.0 110.443 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.73 65.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.96 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -65.43 -49.81 67.78 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.95 -25.21 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CD ' ' HE1' ' C' ' 19' ' ' MET . 27.6 tt0 -81.78 -38.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.662 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -66.57 -22.07 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.146 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.52 -49.91 71.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.08 -67.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.274 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.41 39.03 28.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.016 0.436 . . . . 0.0 110.808 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.815 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.431 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.4 pt-20 -163.04 21.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.125 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.6 143.31 48.27 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.717 0.77 . . . . 0.0 110.71 179.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.629 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 66.1 m-85 -126.65 166.28 17.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.624 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.07 127.0 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.862 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.802 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -112.32 109.4 19.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.548 -177.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.31 114.91 21.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 119.653 -0.819 . . . . 0.0 110.557 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' B' ' 18' ' ' LEU . 40.1 t -120.62 126.29 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.493 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.0 tmt_? -96.96 138.34 34.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.929 0.395 . . . . 0.0 110.951 -178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.07 124.11 3.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.59 -48.95 68.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.27 -47.06 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.407 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 51.6 m-20 -66.06 -44.35 84.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.7 t80 -57.71 -45.74 85.32 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.37 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.09 -45.88 89.99 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.85 -43.87 98.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.541 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' B' ' 9' ' ' VAL . 4.7 mt -73.39 -38.44 65.63 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.062 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.28 -49.01 78.77 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.42 -43.05 67.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.058 179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.644 ' HG3' HG22 ' A' ' 9' ' ' VAL . 3.6 ttmt -53.64 -38.52 64.17 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -63.84 -45.09 91.1 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 113.82 -1.536 . . . . 0.0 109.766 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.0 OUTLIER -64.87 -51.71 60.54 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 26.8 mt -60.77 -45.5 94.09 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.0 mt-10 -67.49 -42.0 83.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.687 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.676 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.1 mt -61.56 -33.71 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.667 ' HE3' HD12 ' D' ' 27' ' ' LEU . 24.2 mtp -54.29 -13.96 1.03 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.855 -1.138 . . . . 0.0 112.423 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.01 21.72 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.856 -0.528 . . . . 0.0 111.949 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.87 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.15 -1.37 58.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 -178.209 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.88 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -100.17 123.89 45.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -40.64 126.38 2.26 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.301 2.0 . . . . 0.0 112.039 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 6.3 tp-100 -50.27 -46.33 83.39 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.391 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 46.5 Cg_exo -57.04 -30.01 85.13 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.048 1.832 . . . . 0.0 112.787 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.568 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 29.0 tp -77.05 -32.83 57.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.267 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.611 HG13 HD11 ' D' ' 27' ' ' LEU . 63.0 t -70.68 -39.95 76.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.18 -43.05 87.32 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -59.35 -44.03 92.73 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.756 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.88 -46.08 90.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.27 -33.82 65.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.39 -49.66 68.42 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.094 0.473 . . . . 0.0 110.417 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.439 ' CD ' ' HE1' ' D' ' 19' ' ' MET . 27.8 tt0 -81.7 -38.69 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.662 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -66.59 -21.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.54 -49.83 71.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.2 -67.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.41 38.93 28.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 110.784 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.886 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.428 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.4 pt-20 -163.09 21.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.24 -145.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.62 143.3 48.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.732 0.777 . . . . 0.0 110.732 179.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.4 m-85 -126.62 166.28 17.62 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.415 -1.266 . . . . 0.0 110.664 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.11 126.97 55.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.841 176.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.809 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.21 109.41 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.538 -177.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.33 114.85 21.08 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 119.621 -0.832 . . . . 0.0 110.578 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.739 HG21 HD13 ' C' ' 18' ' ' LEU . 40.4 t -120.51 126.35 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.486 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.0 tmt_? -97.04 138.43 34.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.966 0.412 . . . . 0.0 110.944 -178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.02 124.15 3.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.833 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.63 -48.95 68.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.21 -47.06 69.25 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 51.4 m-20 -66.1 -44.3 84.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.8 t80 -57.79 -45.72 85.62 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.4 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.08 -45.86 90.11 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.437 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.91 -43.91 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.516 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.739 HD13 HG21 ' C' ' 9' ' ' VAL . 4.7 mt -73.43 -38.33 65.58 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.33 -49.08 78.43 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.532 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.67 -34.02 70.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.636 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.088 179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' D' ' 9' ' ' VAL . 3.6 ttmt -53.75 -38.54 64.51 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.82 -45.09 91.15 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 113.862 -1.517 . . . . 0.0 109.759 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.0 OUTLIER -64.81 -51.72 60.67 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.41 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 26.8 mt -60.78 -45.48 94.22 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 25.9 mt-10 -67.46 -42.03 83.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.843 0.354 . . . . 0.0 111.687 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.65 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.0 mt -61.58 -33.73 74.38 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.652 ' HE3' HD12 ' A' ' 27' ' ' LEU . 24.2 mtp -54.22 -13.96 1.01 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.865 -1.134 . . . . 0.0 112.437 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.3 pt-20 -89.9 -23.0 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.366 0.53 . . . . 0.0 111.966 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.16 -1.39 58.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.06 0.457 . . . . 0.0 110.789 -178.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -100.13 123.93 45.18 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -40.77 126.43 2.35 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.237 1.958 . . . . 0.0 112.03 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.472 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 6.3 tp-100 -50.28 -46.38 83.48 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.319 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 46.1 Cg_exo -56.94 -30.07 84.68 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.047 1.831 . . . . 0.0 112.804 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 29.3 tp -77.05 -32.82 57.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.193 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.595 HG13 HD11 ' A' ' 27' ' ' LEU . 63.7 t -70.75 -39.91 76.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.24 -43.01 87.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -59.37 -44.05 92.78 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.614 0.245 . . . . 0.0 110.75 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.85 -46.11 90.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.429 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.984 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.33 -49.73 68.33 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.97 -25.29 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.44 ' CD ' ' HE1' ' A' ' 19' ' ' MET . 27.8 tt0 -81.68 -38.65 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.706 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.58 -22.08 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.47 -49.92 71.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.09 -67.93 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.281 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.46 38.97 28.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.698 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.882 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.4 pt-20 -163.06 21.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -80.28 -145.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.128 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.56 143.23 48.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.685 0.755 . . . . 0.0 110.723 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.3 m-85 -126.59 166.29 17.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.452 -1.249 . . . . 0.0 110.655 -177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -115.14 126.93 55.2 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.851 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.22 109.48 19.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.536 -177.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.37 114.93 21.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.56 179.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 40.3 t -120.6 126.42 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.478 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.693 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.0 tmt_? -97.12 138.35 34.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.934 0.397 . . . . 0.0 110.942 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.05 124.15 3.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.886 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' D' ' 12' ' ' ARG . 4.2 tpt180 -53.65 -48.92 68.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -53.23 -47.03 69.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 51.3 m-20 -66.06 -44.41 84.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.833 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.7 t80 -57.72 -45.76 85.32 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.339 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.0 -45.93 90.04 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.436 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.83 -43.96 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 4.7 mt -73.42 -38.26 65.61 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.087 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.578 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.36 -49.13 78.2 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.526 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -58.66 -33.95 70.68 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.43 -43.0 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.087 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.638 ' HG3' HG22 ' C' ' 9' ' ' VAL . 3.6 ttmt -53.67 -38.46 64.2 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.98 -45.09 90.59 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 113.796 -1.547 . . . . 0.0 109.707 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.0 OUTLIER -64.74 -51.77 60.59 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 26.7 mt -60.79 -45.58 93.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 25.9 mt-10 -67.41 -41.97 84.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.768 0.318 . . . . 0.0 111.672 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.0 mt -61.6 -33.73 74.42 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.676 ' HE3' HD12 ' B' ' 27' ' ' LEU . 24.2 mtp -54.25 -13.95 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.894 -1.122 . . . . 0.0 112.391 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.4 pt-20 -89.91 -23.09 21.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 118.405 0.548 . . . . 0.0 111.904 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.88 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.11 -1.35 58.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.088 0.471 . . . . 0.0 110.875 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.87 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -100.19 123.89 45.19 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -40.71 126.43 2.31 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.323 2.015 . . . . 0.0 112.017 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 6.3 tp-100 -50.31 -46.37 83.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.326 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 46.2 Cg_exo -57.01 -30.03 85.1 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.036 1.824 . . . . 0.0 112.804 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.564 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 29.2 tp -76.98 -32.93 57.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.861 0.363 . . . . 0.0 110.262 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 62.6 t -70.71 -39.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -58.28 -43.01 87.81 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 38.7 t -59.37 -44.07 92.78 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.753 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -61.82 -46.01 91.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.454 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.32 -33.84 65.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.901 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.4 -49.67 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -62.0 -25.26 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.086 0.47 . . . . 0.0 110.39 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.429 ' CD ' ' HE1' ' B' ' 19' ' ' MET . 27.7 tt0 -81.75 -38.61 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.721 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.66 -21.93 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.092 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.69 -49.8 72.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.783 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.14 -67.84 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.266 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.39 39.05 28.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.417 . . . . 0.0 110.778 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.873 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -167.54 2.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.16 -139.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.173 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.02 145.31 46.73 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.892 0.853 . . . . 0.0 110.7 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.626 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 54.9 m-85 -127.21 163.5 23.73 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.878 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.9 m-85 -115.39 128.22 55.91 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.932 -0.707 . . . . 0.0 109.832 177.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.7 111.36 22.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.813 -178.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.3 tt0 -86.22 113.56 22.34 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.751 HG21 HD13 ' A' ' 18' ' ' LEU . 71.5 t -121.33 125.87 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.81 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.7 tmt_? -96.59 138.29 34.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.017 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.88 126.09 3.33 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.853 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.86 -48.8 72.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.22 -47.52 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.549 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.76 77.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.1 t80 -64.63 -49.15 72.2 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 119.773 -0.156 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.0 -38.14 75.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.623 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.1 mt -68.2 -43.96 84.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.574 0.702 . . . . 0.0 109.741 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -74.9 -28.9 60.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.524 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -73.12 -43.7 61.31 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' D' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.17 70.04 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.62 59.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.185 -179.289 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.658 ' HZ2' ' HG3' ' C' ' 43' ' ' GLN . 0.5 OUTLIER -58.95 -39.14 80.76 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.02 -45.78 76.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.098 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 11.2 m -60.74 -49.98 75.33 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' B' ' 18' ' ' LEU . 27.5 mt -64.18 -44.78 90.95 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 122.367 -0.208 . . . . 0.0 111.448 -178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 30.1 mt-10 -68.11 -38.27 82.09 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.607 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD11 HG13 ' C' ' 36' ' ' VAL . 30.2 mt -68.72 -19.5 64.35 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.644 0.238 . . . . 0.0 111.644 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.626 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.1 OUTLIER -62.14 -11.72 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.959 -178.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.5 pt-20 -90.05 -17.47 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.328 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.006 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.53 -1.43 41.16 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.012 HG21 HD21 ' C' ' 30' ' ' LEU . 2.3 p -99.67 123.71 46.85 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -41.29 124.8 2.37 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.353 2.035 . . . . 0.0 111.973 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 55.9 tp60 -53.03 -47.79 94.37 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.9 Cg_exo -59.16 -27.31 84.67 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.438 1.425 . . . . 0.0 111.963 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 52.7 tp -79.26 -31.61 43.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.326 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG13 HD11 ' C' ' 27' ' ' LEU . 38.1 t -69.57 -42.72 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.17 -41.55 84.1 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.543 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.41 -43.7 92.96 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.199 0.523 . . . . 0.0 110.048 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.07 -45.16 93.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.083 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.14 -35.32 67.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.7 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.44 -51.95 67.31 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.45 -25.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.659 ' HG3' ' HZ2' ' C' ' 22' ' ' LYS . 21.7 tt0 -80.36 -33.22 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.798 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.79 -22.68 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.932 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.16 -49.96 70.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.779 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.42 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.018 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.55 30.68 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.215 0.531 . . . . 0.0 109.958 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 99.3 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.3 pt-20 -167.53 2.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.69 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.25 -139.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.087 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.05 145.22 46.74 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.893 0.854 . . . . 0.0 110.679 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 54.8 m-85 -127.16 163.49 23.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.013 -1.449 . . . . 0.0 110.902 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.577 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -115.34 128.3 56.0 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.861 177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.82 111.36 22.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.753 -178.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.626 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.3 tt0 -86.13 113.42 22.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' B' ' 18' ' ' LEU . 71.6 t -121.3 125.86 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.789 -177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.7 tmt_? -96.47 138.26 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.089 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.92 125.86 3.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.309 -0.948 . . . . 0.0 111.863 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.67 -48.78 71.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.32 -47.51 65.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.546 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.22 -40.77 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.243 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.13 72.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 119.777 -0.154 . . . . 0.0 110.999 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -57.99 -38.15 75.56 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.1 mt -68.15 -44.05 84.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.605 0.717 . . . . 0.0 109.762 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -74.77 -28.99 60.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.197 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.505 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.03 -43.78 61.63 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.622 ' HG2' HD13 ' C' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.02 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 177.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.655 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -74.13 -42.65 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.227 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.655 ' HZ2' ' HG3' ' D' ' 43' ' ' GLN . 0.5 OUTLIER -58.96 -39.02 80.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.07 -45.8 76.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.094 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.623 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 11.0 m -60.71 -49.99 75.3 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 18' ' ' LEU . 27.6 mt -64.2 -44.78 90.91 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.344 -0.222 . . . . 0.0 111.486 -178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 30.3 mt-10 -68.1 -38.25 82.1 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.652 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' D' ' 36' ' ' VAL . 30.2 mt -68.71 -19.47 64.36 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.1 OUTLIER -62.2 -11.74 16.3 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.921 -178.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.5 pt-20 -90.08 -17.41 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.312 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.994 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.47 40.86 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.995 HG21 HD21 ' D' ' 30' ' ' LEU . 2.3 p -99.64 123.68 46.99 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -41.23 124.82 2.33 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.401 2.067 . . . . 0.0 111.942 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 56.0 tp60 -53.09 -47.8 94.41 Favored Pre-proline 0 CA--C 1.532 0.267 0 N-CA-C 113.118 0.785 . . . . 0.0 113.118 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 36.2 Cg_exo -59.11 -27.29 84.61 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.474 1.449 . . . . 0.0 111.944 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 52.6 tp -79.35 -31.57 43.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.287 -179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' D' ' 27' ' ' LEU . 38.5 t -69.63 -42.6 80.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.25 -41.48 84.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.55 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.34 -43.73 92.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.218 0.533 . . . . 0.0 110.117 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.17 93.9 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.055 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.1 -35.34 66.92 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.725 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.45 -51.93 67.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.397 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.49 -25.48 68.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.205 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.655 ' HG3' ' HZ2' ' D' ' 22' ' ' LYS . 21.7 tt0 -80.43 -33.11 37.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.816 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.89 -22.64 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.881 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.2 -49.88 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.822 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.4 -72.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.983 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.57 30.61 19.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.175 0.512 . . . . 0.0 109.97 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.465 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 -167.52 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.668 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -73.24 -139.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.125 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.29 46.63 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.877 0.846 . . . . 0.0 110.634 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.63 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 54.5 m-85 -127.25 163.5 23.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.861 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -115.35 128.23 55.95 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.852 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.79 111.4 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.754 -178.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.55 22.26 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.358 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.754 HG21 HD13 ' C' ' 18' ' ' LEU . 70.8 t -121.35 125.79 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.783 -177.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.719 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.7 tmt_? -96.44 138.26 34.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.536 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.87 125.98 3.3 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.365 -0.922 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -54.77 -48.77 72.23 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -52.24 -47.57 65.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.494 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.247 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.82 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.2 t80 -64.66 -49.17 72.03 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.08 75.52 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.1 mt -68.21 -43.98 84.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.581 0.705 . . . . 0.0 109.75 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.754 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -74.86 -28.89 60.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.519 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.14 -43.77 61.09 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.62 ' HG2' HD13 ' B' ' 17' ' ' ILE . 16.7 tptt -61.83 -29.19 70.0 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 177.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.1 OUTLIER -74.16 -42.59 59.69 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.081 -1.418 . . . . 0.0 111.233 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.659 ' HZ2' ' HG3' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -58.92 -39.11 80.55 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.1 -45.76 76.27 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.626 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 11.1 m -60.65 -50.06 75.01 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 18' ' ' LEU . 27.6 mt -64.11 -44.8 91.15 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.592 0.234 . . . . 0.0 111.513 -178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 30.1 mt-10 -68.09 -38.35 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.594 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' VAL . 30.5 mt -68.69 -19.34 64.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.624 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -62.23 -11.78 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.155 -1.018 . . . . 0.0 110.898 -178.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.5 pt-20 -90.07 -17.39 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.358 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 1.012 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.6 -1.46 40.89 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -176.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 1.006 HG21 HD21 ' A' ' 30' ' ' LEU . 2.3 p -99.66 123.74 46.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.33 124.84 2.42 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.359 2.04 . . . . 0.0 111.924 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 55.9 tp60 -52.98 -47.96 93.59 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 36.7 Cg_exo -59.02 -27.35 84.78 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 121.473 1.448 . . . . 0.0 111.978 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.606 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 52.6 tp -79.34 -31.51 43.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.274 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.481 HG13 HD11 ' A' ' 27' ' ' LEU . 38.3 t -69.64 -42.74 80.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.13 -41.52 83.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.551 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 37.1 t -59.37 -43.77 92.83 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.141 0.496 . . . . 0.0 110.04 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.12 -45.13 94.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.055 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.11 -35.37 66.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -60.41 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.48 -25.47 68.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.184 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.658 ' HG3' ' HZ2' ' A' ' 22' ' ' LYS . 21.6 tt0 -80.41 -33.18 37.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.8 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.81 -22.62 63.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.974 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.23 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.808 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.47 -72.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.003 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.52 30.64 19.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.175 0.512 . . . . 0.0 109.975 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -167.51 2.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -73.17 -139.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.146 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.719 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 145.24 46.68 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.867 0.842 . . . . 0.0 110.71 179.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 54.9 m-85 -127.18 163.48 23.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.909 -177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -115.37 128.22 55.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.815 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.82 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.74 111.44 22.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.815 -178.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.3 tt0 -86.12 113.49 22.22 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.74 HG21 HD13 ' D' ' 18' ' ' LEU . 70.9 t -121.37 125.81 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.794 -177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.7 tmt_? -96.46 138.27 34.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.545 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.85 125.97 3.29 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.375 -0.917 . . . . 0.0 111.87 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -54.74 -48.79 72.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.29 -47.47 65.87 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.557 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -69.27 -40.68 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.2 t80 -64.72 -49.13 72.06 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 119.763 -0.16 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -58.02 -38.13 75.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.1 mt -68.14 -44.04 84.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.586 0.707 . . . . 0.0 109.749 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.74 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -74.82 -28.8 60.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.229 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.504 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.2 -43.76 60.8 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.623 ' HG2' HD13 ' A' ' 17' ' ' ILE . 16.9 tptt -61.92 -29.13 70.01 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.1 OUTLIER -74.14 -42.64 59.67 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.218 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.655 ' HZ2' ' HG3' ' B' ' 43' ' ' GLN . 0.5 OUTLIER -58.95 -39.05 80.49 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -67.12 -45.7 76.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.098 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.624 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 11.2 m -60.77 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' C' ' 18' ' ' LEU . 27.7 mt -64.18 -44.73 91.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.545 0.212 . . . . 0.0 111.463 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 30.1 mt-10 -68.13 -38.31 82.06 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.632 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.482 HD11 HG13 ' B' ' 36' ' ' VAL . 30.2 mt -68.67 -19.5 64.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.1 OUTLIER -62.07 -11.87 16.2 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.893 -178.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.5 pt-20 -90.01 -17.39 27.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.365 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.995 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 -1.41 40.74 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.994 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -99.66 123.72 46.84 Favored Pre-proline 0 N--CA 1.451 -0.394 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.35 124.86 2.44 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.346 2.031 . . . . 0.0 111.982 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 56.0 tp60 -53.06 -47.8 94.39 Favored Pre-proline 0 CA--C 1.532 0.272 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.7 Cg_exo -59.07 -27.39 84.89 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.484 1.456 . . . . 0.0 111.977 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.605 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 52.6 tp -79.33 -31.47 43.11 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.316 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 27' ' ' LEU . 38.2 t -69.66 -42.65 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -58.23 -41.52 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.514 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 37.0 t -59.37 -43.81 92.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.221 0.534 . . . . 0.0 110.092 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -60.0 -45.16 93.64 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.097 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.08 -35.44 66.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -60.4 -51.94 67.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.421 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -62.47 -25.44 68.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.655 ' HG3' ' HZ2' ' B' ' 22' ' ' LYS . 21.7 tt0 -80.39 -33.25 37.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.781 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -69.78 -22.61 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.934 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 tp -55.22 -49.84 70.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -72.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.952 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.53 30.62 19.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.115 0.483 . . . . 0.0 109.968 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.571 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 99.2 mtt180 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.5 pt-20 -168.27 10.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.018 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.198 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -70.92 143.98 50.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.784 0.802 . . . . 0.0 110.31 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.5 m-85 -127.02 164.13 22.2 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.941 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.8 m-85 -114.48 128.12 56.17 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.549 177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.812 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.76 111.32 21.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.165 -177.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -85.95 114.92 23.24 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.574 -0.851 . . . . 0.0 109.05 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.783 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.524 -177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.59 138.13 34.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.246 -177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.31 125.04 3.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.135 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.0 -50.03 67.52 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.06 -46.53 65.18 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.226 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' OD1' HD22 ' B' ' 25' ' ' LEU . 51.7 m-20 -67.87 -42.99 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.977 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 7' ' ' LEU . 31.6 t80 -63.93 -49.35 72.97 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.366 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.73 -37.79 74.19 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.1 mt -68.54 -42.88 83.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.269 0.557 . . . . 0.0 110.067 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' B' ' 18' ' ' LEU . 1.6 mt -75.89 -30.31 58.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.4 -179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.73 -37.68 62.48 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.61 64.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' C' ' 21' ' ' LEU . 1.8 tp -75.34 -43.46 50.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.435 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.698 ' HZ1' ' HG2' ' C' ' 43' ' ' GLN . 6.2 tttm -55.62 -38.7 69.84 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 2.4 tt0 -66.81 -45.29 78.83 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.972 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.91 -44.86 94.94 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' B' ' 14' ' ' ASN . 11.3 mt -66.51 -45.81 78.3 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 110.549 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 39.2 mt-10 -70.63 -36.42 73.44 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.811 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 HD11 HG13 ' C' ' 36' ' ' VAL . 16.1 mt -70.77 -20.55 62.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.164 0.507 . . . . 0.0 110.424 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.469 ' HE2' HD12 ' C' ' 27' ' ' LEU . 16.1 ttm -69.15 -11.68 61.01 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.323 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.1 23.29 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.928 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -97.68 6.56 47.8 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.326 0.584 . . . . 0.0 111.073 -177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.921 HG21 HD21 ' C' ' 30' ' ' LEU . 2.8 p -100.55 123.54 45.72 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.437 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -40.39 126.27 2.07 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.461 2.108 . . . . 0.0 111.868 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 29.8 tt0 -52.85 -46.73 96.77 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.9 Cg_exo -58.21 -27.52 80.83 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 121.531 1.488 . . . . 0.0 112.122 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 36.1 tp -79.33 -31.07 43.01 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 HG13 HD11 ' C' ' 27' ' ' LEU . 33.8 t -69.52 -43.72 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -58.07 -43.55 87.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.43 -43.5 93.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.34 -44.93 95.06 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.757 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -54.73 -44.19 73.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.182 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.75 -44.81 93.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.008 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.608 ' O ' HD23 ' A' ' 45' ' ' LEU . 57.6 tp60 -59.61 -28.6 67.33 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.638 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.709 ' HG2' ' HZ1' ' C' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.61 20.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.0 110.147 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.31 -27.74 69.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.209 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -56.77 -32.26 65.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.228 179.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD23 ' H ' ' A' ' 48' ' ' ARG . 7.5 tt -155.77 92.78 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.066 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.1 OUTLIER -91.67 51.02 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.206 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' H ' HD23 ' A' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.014 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.4 pt-20 -168.33 10.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.91 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.172 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -70.98 143.97 50.66 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.809 0.814 . . . . 0.0 110.227 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.3 m-85 -127.01 164.22 22.0 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.014 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.9 m-85 -114.55 128.05 56.12 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.517 177.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.69 111.38 21.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.168 -178.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -85.92 114.81 23.13 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 119.611 -0.836 . . . . 0.0 109.073 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.786 HG21 HD13 ' B' ' 18' ' ' LEU . 42.4 t -122.98 126.79 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.509 -177.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.56 138.18 34.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 -177.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.25 125.02 3.19 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.14 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -54.02 -50.05 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.01 -46.57 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' A' ' 25' ' ' LEU . 51.5 m-20 -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.014 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.812 ' CE1' HD13 ' A' ' 7' ' ' LEU . 31.6 t80 -64.01 -49.26 73.11 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -37.84 74.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.1 mt -68.58 -42.86 83.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.23 0.538 . . . . 0.0 109.987 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.922 HD23 HD23 ' A' ' 18' ' ' LEU . 1.6 mt -75.85 -30.33 58.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.415 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.502 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.74 -37.76 62.42 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.594 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -70.79 -28.55 64.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' D' ' 21' ' ' LEU . 1.8 tp -75.37 -43.46 50.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.46 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.641 ' HZ1' ' HG2' ' D' ' 43' ' ' GLN . 6.2 tttm -55.69 -38.65 69.94 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 2.4 tt0 -66.74 -45.28 79.09 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.98 178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -62.98 -44.79 95.08 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.51 HD22 ' OD1' ' A' ' 14' ' ' ASN . 11.3 mt -66.6 -45.76 78.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.679 0.276 . . . . 0.0 110.577 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 39.3 mt-10 -70.62 -36.47 73.5 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.825 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.606 HD11 HG13 ' D' ' 36' ' ' VAL . 16.2 mt -70.75 -20.55 62.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.197 0.523 . . . . 0.0 110.436 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.477 ' HE2' HD12 ' D' ' 27' ' ' LEU . 16.0 ttm -69.15 -11.62 60.96 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.332 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 4.8 pt-20 -90.33 -20.09 23.28 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.907 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -97.72 6.59 47.72 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.372 0.606 . . . . 0.0 111.052 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' D' ' 30' ' ' LEU . 2.8 p -100.6 123.57 45.54 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.416 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -40.47 126.29 2.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.397 2.065 . . . . 0.0 111.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.9 tt0 -52.84 -46.67 96.75 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.9 Cg_exo -58.3 -27.45 81.06 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 121.583 1.522 . . . . 0.0 112.13 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 36.0 tp -79.36 -31.12 42.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.385 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.609 HG13 HD11 ' D' ' 27' ' ' LEU . 34.0 t -69.45 -43.75 80.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.08 -43.58 87.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.449 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 61.9 m -59.44 -43.44 93.14 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.574 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -60.37 -44.94 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.732 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -54.68 -44.14 73.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.194 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.79 -44.91 93.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.977 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.611 ' O ' HD23 ' B' ' 45' ' ' LEU . 57.6 tp60 -59.58 -28.59 67.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.677 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.648 ' HG2' ' HZ1' ' D' ' 22' ' ' LYS . 53.0 tp60 -90.53 -23.65 20.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.146 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.77 69.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 42' ' ' GLN . 0.4 OUTLIER -56.7 -32.37 65.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.605 HD23 ' H ' ' B' ' 48' ' ' ARG . 7.4 tt -155.66 92.77 1.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.067 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.449 ' HA ' HE21 ' B' ' 43' ' ' GLN . 0.1 OUTLIER -91.64 51.05 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.161 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.605 ' H ' HD23 ' B' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.057 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.41 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -168.32 10.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.96 -144.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -70.91 143.93 50.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.782 0.801 . . . . 0.0 110.241 179.581 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.5 m-85 -127.03 164.22 22.01 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.991 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.455 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.9 m-85 -114.61 128.08 56.13 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.978 -0.689 . . . . 0.0 109.456 177.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.75 111.45 21.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.164 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.85 23.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 119.651 -0.819 . . . . 0.0 109.023 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.785 HG21 HD13 ' C' ' 18' ' ' LEU . 42.5 t -123.02 126.81 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.571 -177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.696 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.53 138.02 34.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.258 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.41 125.08 3.26 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.114 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.06 -50.04 67.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.08 -46.5 65.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.205 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.5 ' OD1' HD22 ' D' ' 25' ' ' LEU . 52.1 m-20 -67.89 -43.02 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 31.7 t80 -63.95 -49.28 73.17 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.348 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.75 -37.83 74.31 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -68.57 -42.87 83.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 110.04 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' D' ' 18' ' ' LEU . 1.6 mt -75.85 -30.25 58.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.468 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.516 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.79 -37.68 62.33 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -70.83 -28.62 64.74 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.939 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -75.3 -43.44 50.99 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.474 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.709 ' HZ1' ' HG2' ' A' ' 43' ' ' GLN . 6.2 tttm -55.74 -38.57 69.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' C' ' 27' ' ' LEU . 2.3 tt0 -66.8 -45.26 78.96 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.974 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 51.8 p -63.03 -44.87 94.75 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.487 HD22 ' OD1' ' D' ' 14' ' ' ASN . 11.3 mt -66.53 -45.72 78.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.7 0.286 . . . . 0.0 110.598 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 39.2 mt-10 -70.64 -36.43 73.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.808 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.608 HD11 HG13 ' A' ' 36' ' ' VAL . 16.1 mt -70.78 -20.58 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.193 0.52 . . . . 0.0 110.442 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.461 ' HE2' HD12 ' A' ' 27' ' ' LEU . 16.0 ttm -69.19 -11.6 60.94 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.769 -0.772 . . . . 0.0 110.365 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 4.8 pt-20 -90.32 -20.01 23.39 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.921 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -97.81 6.62 47.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.35 0.595 . . . . 0.0 111.032 -177.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.928 HG21 HD21 ' A' ' 30' ' ' LEU . 2.8 p -100.58 123.61 45.42 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.408 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.56 126.22 2.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.363 2.042 . . . . 0.0 111.943 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.8 tt0 -52.7 -46.81 96.01 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.0 Cg_exo -58.23 -27.47 80.74 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.535 1.49 . . . . 0.0 112.122 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 36.0 tp -79.29 -31.19 43.27 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.616 HG13 HD11 ' A' ' 27' ' ' LEU . 34.2 t -69.4 -43.75 80.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.1 -43.58 87.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.436 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.37 -43.47 92.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 0.0 110.675 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.32 -44.96 94.99 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.78 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.13 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.163 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.82 -44.83 93.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.999 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' C' ' 45' ' ' LEU . 57.6 tp60 -59.62 -28.55 67.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.664 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.698 ' HG2' ' HZ1' ' A' ' 22' ' ' LYS . 53.1 tp60 -90.57 -23.65 20.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.28 -27.76 69.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.203 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' C' ' 42' ' ' GLN . 0.4 OUTLIER -56.74 -32.28 65.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.232 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.596 HD23 ' H ' ' C' ' 48' ' ' ARG . 7.5 tt -155.78 92.77 1.4 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.433 ' HA ' HE21 ' C' ' 43' ' ' GLN . 0.1 OUTLIER -91.66 51.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.147 179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.596 ' H ' HD23 ' C' ' 46' ' ' LEU . 87.4 mtm180 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.997 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.5 pt-20 -168.28 10.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.033 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -76.84 -144.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -70.89 144.0 50.8 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.786 0.803 . . . . 0.0 110.254 179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.3 m-85 -127.08 164.2 22.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.242 -1.344 . . . . 0.0 110.956 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.451 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.9 m-85 -114.54 128.13 56.16 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.504 177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.8 111.42 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.156 -177.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -85.94 114.83 23.15 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.589 -0.844 . . . . 0.0 109.077 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.787 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -122.92 126.76 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.547 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.51 138.08 34.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.291 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.496 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.35 125.11 3.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.148 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -54.13 -49.93 68.08 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.12 -46.57 65.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.211 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.487 ' OD1' HD22 ' C' ' 25' ' ' LEU . 51.7 m-20 -67.8 -43.08 80.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.996 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' C' ' 7' ' ' LEU . 31.8 t80 -63.91 -49.25 73.4 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.434 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.74 -37.84 74.32 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.1 mt -68.55 -42.92 83.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.918 HD23 HD23 ' C' ' 18' ' ' LEU . 1.7 mt -75.83 -30.32 58.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.423 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.499 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.75 -37.68 62.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.607 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -70.84 -28.55 64.68 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -75.35 -43.5 50.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.448 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.648 ' HZ1' ' HG2' ' B' ' 43' ' ' GLN . 6.2 tttm -55.68 -38.61 69.85 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' D' ' 27' ' ' LEU . 2.4 tt0 -66.76 -45.31 78.95 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.994 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 51.7 p -63.03 -44.84 94.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.5 HD22 ' OD1' ' C' ' 14' ' ' ASN . 11.3 mt -66.5 -45.73 78.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.737 0.303 . . . . 0.0 110.576 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 39.1 mt-10 -70.69 -36.38 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.794 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.609 HD11 HG13 ' B' ' 36' ' ' VAL . 16.1 mt -70.81 -20.55 62.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.174 0.511 . . . . 0.0 110.436 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.517 ' HE2' HD12 ' B' ' 27' ' ' LEU . 15.9 ttm -69.24 -11.58 60.93 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.357 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 4.8 pt-20 -90.34 -20.02 23.36 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -97.74 6.59 47.71 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.371 0.605 . . . . 0.0 111.068 -177.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.907 HG21 HD21 ' B' ' 30' ' ' LEU . 2.8 p -100.63 123.51 45.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.379 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -40.4 126.24 2.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.417 2.078 . . . . 0.0 111.94 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.8 tt0 -52.81 -46.77 96.56 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.9 Cg_exo -58.19 -27.57 80.87 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 121.491 1.461 . . . . 0.0 112.105 -179.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 36.2 tp -79.28 -31.07 43.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.38 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.606 HG13 HD11 ' B' ' 27' ' ' LEU . 33.7 t -69.45 -43.77 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.13 -43.55 87.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.425 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -59.42 -43.48 93.03 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.616 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -60.37 -44.89 95.18 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.761 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -54.7 -44.2 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.185 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -59.76 -44.84 93.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.017 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . 0.609 ' O ' HD23 ' D' ' 45' ' ' LEU . 57.6 tp60 -59.54 -28.61 67.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.691 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.641 ' HG2' ' HZ1' ' B' ' 22' ' ' LYS . 53.0 tp60 -90.58 -23.55 20.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.095 0.474 . . . . 0.0 110.197 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -64.37 -27.68 69.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.174 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.609 HD23 ' O ' ' D' ' 42' ' ' GLN . 0.4 OUTLIER -56.79 -32.24 65.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.605 HD23 ' H ' ' D' ' 48' ' ' ARG . 7.5 tt -155.71 92.69 1.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.45 ' HA ' HE21 ' D' ' 43' ' ' GLN . 0.1 OUTLIER -91.61 51.02 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.204 179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.605 ' H ' HD23 ' D' ' 46' ' ' LEU . 87.3 mtm180 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.43 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.8 pt-20 -168.8 15.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.145 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.47 48.46 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.747 0.784 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.0 m-85 -126.44 164.58 20.82 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.483 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.6 m-85 -115.08 126.77 55.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.924 177.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -111.5 109.63 19.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.648 -177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.637 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.2 tt0 -81.74 109.03 15.77 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.406 0.622 . . . . 0.0 111.011 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' A' ' 18' ' ' LEU . 55.8 t -115.42 124.53 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.199 -178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 3.9 tmt_? -96.41 135.47 38.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.56 125.23 4.3 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.306 -0.949 . . . . 0.0 111.977 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.57 67.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.06 -47.43 68.45 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.08 -44.08 85.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.795 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -57.53 -45.59 84.88 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.351 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.85 -45.2 93.7 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.97 -43.78 99.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.63 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' B' ' 18' ' ' LEU . 4.2 mt -74.27 -37.5 63.69 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.087 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -62.51 -49.37 75.64 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.26 70.5 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.62 -39.99 70.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.711 -1.132 . . . . 0.0 111.383 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.4 ttmt -55.99 -39.04 71.25 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.457 0.646 . . . . 0.0 109.279 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 7.2 tt0 -67.0 -45.18 78.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.587 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.576 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 75.0 p -63.61 -48.05 78.91 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.819 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.87 -45.89 90.42 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 29.1 mt-10 -65.33 -42.37 92.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 111.512 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD23 HD13 ' A' ' 30' ' ' LEU . 31.0 mt -64.43 -26.51 68.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.61 -13.3 0.94 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.882 -1.136 . . . . 0.0 112.424 -178.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 9.9 pt-20 -90.18 -17.26 27.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.335 -0.228 . . . . 0.0 111.477 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.62 -3.29 46.58 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' C' ' 30' ' ' LEU . 1.5 p -98.94 123.93 47.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -40.64 125.68 2.11 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.408 2.072 . . . . 0.0 112.222 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.53 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.51 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.6 Cg_endo -56.53 -28.46 74.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.087 1.858 . . . . 0.0 113.002 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 66.9 tp -78.29 -33.38 49.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.928 0.395 . . . . 0.0 109.996 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.99 -39.33 74.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.11 -42.79 86.48 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.95 -44.02 91.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 6.1 t80 -61.65 -45.42 94.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.963 0.411 . . . . 0.0 110.306 178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.06 -34.09 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -67.99 -48.92 64.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.1 -25.47 67.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.029 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -83.12 -32.92 26.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.121 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.88 -22.59 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.764 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.64 -49.95 71.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.744 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.488 HD23 ' NE2' ' D' ' 8' ' ' GLN . 17.1 tp -140.36 86.91 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.155 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.33 43.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.283 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.8 pt-20 -168.75 15.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.69 -144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.097 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.4 143.41 48.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.715 0.769 . . . . 0.0 110.708 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.637 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.7 m-85 -126.42 164.62 20.7 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.493 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.6 m-85 -115.14 126.75 54.99 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.944 177.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -111.48 109.67 19.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.619 -177.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.655 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.2 tt0 -81.79 108.92 15.71 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.431 0.634 . . . . 0.0 110.98 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' B' ' 18' ' ' LEU . 55.8 t -115.31 124.6 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.214 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 3.9 tmt_? -96.43 135.43 38.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.006 0.432 . . . . 0.0 110.64 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.515 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 94.62 125.22 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.999 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.77 -49.61 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.99 -47.41 68.26 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.6 84.82 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.378 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.86 -45.29 93.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.83 -43.82 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.707 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' A' ' 18' ' ' LEU . 4.3 mt -74.2 -37.56 63.86 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.083 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.622 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.43 75.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.418 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 8.7 tmtm? -57.73 -35.25 70.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -39.98 70.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.385 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 ttmt -56.03 -38.96 71.26 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.516 0.674 . . . . 0.0 109.292 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 7.1 tt0 -66.98 -45.22 78.3 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 75.9 p -63.63 -48.06 78.82 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.775 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.84 -45.88 90.52 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 29.1 mt-10 -65.34 -42.44 92.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 111.448 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' B' ' 30' ' ' LEU . 31.1 mt -64.46 -26.39 68.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.568 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.63 -13.41 0.98 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.865 -1.147 . . . . 0.0 112.394 -178.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 9.9 pt-20 -90.09 -17.25 28.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.304 -0.247 . . . . 0.0 111.485 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -3.21 46.62 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.92 HG21 HD21 ' D' ' 30' ' ' LEU . 1.5 p -98.92 123.93 47.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -40.63 125.69 2.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.376 2.051 . . . . 0.0 112.216 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.582 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 51.5 tt0 -49.68 -50.39 67.17 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.495 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.4 Cg_endo -56.63 -28.34 74.43 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.051 1.834 . . . . 0.0 113.018 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.601 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 67.2 tp -78.32 -33.44 49.27 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 109.965 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.93 -39.33 75.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.16 -42.73 86.57 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -59.0 -43.95 91.56 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.486 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.1 t80 -61.63 -45.43 94.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.989 0.423 . . . . 0.0 110.313 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.05 -34.13 65.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.816 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.07 -48.92 64.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.05 -25.5 67.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -83.12 -32.87 26.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.176 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.93 -22.49 65.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.764 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.71 -49.9 71.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.765 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.498 HD23 ' NE2' ' C' ' 8' ' ' GLN . 17.1 tp -140.25 86.85 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.16 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.29 43.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.29 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.809 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.429 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.8 pt-20 -168.79 15.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.66 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.164 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.702 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.43 143.48 48.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.707 0.765 . . . . 0.0 110.708 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.0 m-85 -126.43 164.56 20.85 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.538 -178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -115.04 126.77 55.1 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.879 -0.728 . . . . 0.0 109.972 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -111.46 109.64 19.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.671 -177.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.634 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.2 tt0 -81.74 108.94 15.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.36 0.6 . . . . 0.0 110.992 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' C' ' 18' ' ' LEU . 56.0 t -115.4 124.49 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.246 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 3.9 tmt_? -96.32 135.47 38.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.647 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.59 125.17 4.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.974 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -53.74 -49.56 67.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.04 -47.4 68.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -66.12 -44.06 85.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -57.52 -45.61 84.79 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.374 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.85 -45.24 93.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.421 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.87 -43.8 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.729 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' D' ' 18' ' ' LEU . 4.3 mt -74.22 -37.54 63.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.113 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.601 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -62.52 -49.35 75.69 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.412 ' O ' ' HD3' ' C' ' 20' ' ' LYS . 8.7 tmtm? -57.74 -35.31 70.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.6 -39.93 70.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.41 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.591 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.5 ttmt -56.06 -38.93 71.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.465 0.65 . . . . 0.0 109.274 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.419 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 7.0 tt0 -67.07 -45.19 78.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.53 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.575 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 74.9 p -63.63 -48.01 79.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.799 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -45.83 90.68 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 29.1 mt-10 -65.38 -42.35 92.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 0.0 111.508 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.508 HD23 HD13 ' C' ' 30' ' ' LEU . 31.1 mt -64.49 -26.44 68.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -13.39 0.97 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.883 -1.136 . . . . 0.0 112.421 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 9.9 pt-20 -90.1 -17.27 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.456 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -3.2 46.41 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -177.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' A' ' 30' ' ' LEU . 1.5 p -98.92 123.9 47.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -40.69 125.68 2.14 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.394 2.063 . . . . 0.0 112.222 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.33 67.76 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.461 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.4 Cg_endo -56.66 -28.32 74.64 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.055 1.837 . . . . 0.0 113.022 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 67.0 tp -78.28 -33.41 49.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.955 0.407 . . . . 0.0 110.03 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -70.95 -39.36 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -58.2 -42.76 86.86 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 42.3 t -58.91 -43.99 91.16 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.489 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 6.1 t80 -61.66 -45.45 93.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.295 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.0 -34.12 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -67.99 -48.98 64.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.08 -25.42 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -83.19 -32.89 26.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.108 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.85 -22.62 65.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.724 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -49.98 71.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.734 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.487 HD23 ' NE2' ' B' ' 8' ' ' GLN . 17.0 tp -140.25 86.9 2.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.109 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.25 43.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.302 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.405 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.859 0.362 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.432 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.8 pt-20 -168.84 15.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -77.67 -144.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.144 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.713 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.44 143.43 48.47 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 110.736 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.8 m-85 -126.38 164.66 20.59 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.46 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.403 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.6 m-85 -115.13 126.74 55.0 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.903 177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.79 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -111.43 109.67 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.688 -178.048 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.2 tt0 -81.77 108.98 15.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.402 0.62 . . . . 0.0 110.966 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.684 HG21 HD13 ' D' ' 18' ' ' LEU . 55.6 t -115.44 124.56 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.216 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.702 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 3.9 tmt_? -96.4 135.5 38.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.593 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.6 125.25 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.911 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -53.81 -49.55 68.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.0 -47.47 68.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -66.05 -44.08 85.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.799 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -57.49 -45.62 84.69 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.356 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.84 -45.31 93.17 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.86 -43.75 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.705 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.732 HD23 HD23 ' C' ' 18' ' ' LEU . 4.3 mt -74.28 -37.45 63.69 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.138 -179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.619 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -62.53 -49.41 75.42 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 8.7 tmtm? -57.76 -35.24 70.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.649 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.61 -40.01 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.417 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.59 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 ttmt -55.94 -39.06 71.16 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.544 0.688 . . . . 0.0 109.257 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 7.2 tt0 -66.96 -45.25 78.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.588 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.568 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 73.6 p -63.54 -48.09 78.92 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.863 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.77 -45.95 90.28 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 29.1 mt-10 -65.37 -42.33 92.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 111.523 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.501 HD23 HD13 ' D' ' 30' ' ' LEU . 31.2 mt -64.45 -26.4 68.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.66 -13.37 0.98 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 120.856 -1.153 . . . . 0.0 112.419 -178.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 9.9 pt-20 -90.13 -17.26 27.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.161 -0.216 . . . . 0.0 111.456 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.92 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.69 -3.23 46.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.924 HG21 HD21 ' B' ' 30' ' ' LEU . 1.5 p -98.9 123.92 47.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -40.67 125.64 2.12 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.449 2.099 . . . . 0.0 112.191 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.581 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 51.5 tt0 -49.72 -50.38 67.49 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.453 -179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.3 Cg_endo -56.54 -28.39 73.89 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.096 1.864 . . . . 0.0 113.027 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.608 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 67.2 tp -78.27 -33.5 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 109.987 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.89 -39.37 75.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -58.09 -42.83 86.49 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -58.93 -43.96 91.25 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.497 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 6.2 t80 -61.61 -45.47 93.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 0.0 110.305 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -56.04 -34.16 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.784 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.0 -48.93 64.39 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -62.14 -25.37 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.039 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -83.19 -32.95 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.133 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.82 -22.57 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.742 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tp -55.66 -50.0 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.766 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.494 HD23 ' NE2' ' A' ' 8' ' ' GLN . 17.1 tp -140.22 86.89 2.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.186 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.29 43.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.247 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 72.4 mtp180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.818 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.14 12.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -72.59 143.21 48.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.628 0.728 . . . . 0.0 110.584 179.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.7 m-85 -125.96 164.71 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.375 -178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.2 126.03 54.59 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.556 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.807 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -111.27 109.48 19.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.585 -177.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.689 HE22 HD13 ' D' ' 46' ' ' LEU . 2.1 tt0 -82.12 113.07 19.73 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.177 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 HD22 ' A' ' 18' ' ' LEU . 12.6 t -119.58 126.35 75.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.287 -178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.01 33.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.998 0.427 . . . . 0.0 110.801 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.17 124.36 2.73 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.764 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.31 -48.04 68.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.28 -47.27 69.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.78 0.324 . . . . 0.0 111.833 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' A' ' 9' ' ' VAL . 48.4 t-20 -64.37 -46.67 82.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.08 0.467 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.6 t80 -56.93 -45.72 82.54 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.501 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.92 -46.0 89.83 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.49 -43.41 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.691 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 1.7 mp -74.3 -36.03 63.73 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.244 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.32 69.29 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.81 -37.75 74.34 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD21 ' HG ' ' C' ' 21' ' ' LEU . 0.5 OUTLIER -69.63 -41.71 75.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.724 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' NZ ' ' HG3' ' C' ' 43' ' ' GLN . 11.8 tttm -51.73 -40.67 60.62 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.68 -44.6 77.39 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.783 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' C ' ' HB2' ' C' ' 24' ' ' SER . 91.4 p -60.55 -49.33 77.96 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.858 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD12 HD13 ' B' ' 18' ' ' LEU . 12.0 mt -63.58 -45.66 89.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.646 0.26 . . . . 0.0 111.284 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.8 mt-10 -65.86 -43.33 88.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.159 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 33.4 mt -66.12 -31.25 72.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 28' ' ' MET . 23.2 ttm -55.77 -13.91 2.01 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.251 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.41 -23.11 21.14 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 122.077 -0.39 . . . . 0.0 111.802 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.73 2.46 54.81 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.12 0.486 . . . . 0.0 111.074 -178.279 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.62 123.92 46.18 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.361 178.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.69 127.71 1.79 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.631 2.221 . . . . 0.0 112.414 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 52.4 tp60 -49.8 -50.78 65.63 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.22 67.94 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.109 1.873 . . . . 0.0 112.992 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 51.7 tp -78.2 -33.5 49.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.316 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 HD11 ' C' ' 27' ' ' LEU . 71.2 t -70.81 -39.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.28 -43.88 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.45 -44.14 93.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.036 -0.265 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.23 -44.47 97.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.477 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.44 -33.49 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.387 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.34 -50.78 64.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.99 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.44 -26.01 68.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HG3' ' NZ ' ' C' ' 22' ' ' LYS . 4.1 tm0? -77.23 -42.83 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.715 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -22.98 67.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.37 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 46' ' ' LEU . 1.5 tp -56.28 -48.58 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.164 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.681 HD13 HE22 ' D' ' 8' ' ' GLN . 1.1 mt -106.52 -78.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.897 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.23 31.38 20.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 110.083 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.008 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.81 0.338 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.13 13.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.1 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.18 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -72.58 143.19 48.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.616 0.722 . . . . 0.0 110.599 179.662 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.9 m-85 -125.9 164.69 20.21 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.372 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.17 125.98 54.55 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.607 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -111.23 109.5 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.612 -177.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.684 HE22 HD13 ' C' ' 46' ' ' LEU . 2.1 tt0 -82.18 113.09 19.78 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.12 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.586 HG21 HD22 ' B' ' 18' ' ' LEU . 12.5 t -119.5 126.38 75.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.8 tmt_? -96.6 139.08 33.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.17 124.43 2.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.781 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.4 -48.04 69.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.24 -47.32 69.13 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.811 0.339 . . . . 0.0 111.849 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.405 ' CG ' HG13 ' B' ' 9' ' ' VAL . 48.2 t-20 -64.35 -46.62 82.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.807 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.5 t80 -57.05 -45.63 83.04 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.448 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.98 -46.01 89.7 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -62.42 -43.39 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.234 -0.587 . . . . 0.0 110.76 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.662 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 1.6 mp -74.38 -35.98 63.52 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.256 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.568 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -65.57 -49.28 69.4 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.89 -37.73 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.692 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.5 OUTLIER -69.64 -41.74 75.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.687 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 8' ' ' GLN . 11.7 tttm -51.67 -40.7 60.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.69 -44.65 77.24 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.754 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' D' ' 24' ' ' SER . 92.4 p -60.48 -49.26 78.26 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.929 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 18' ' ' LEU . 11.9 mt -63.68 -45.6 89.33 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.283 . . . . 0.0 111.277 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.9 mt-10 -65.91 -43.34 88.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' D' ' 36' ' ' VAL . 33.4 mt -66.08 -31.32 72.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.613 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.43 ' HE2' HD12 ' D' ' 27' ' ' LEU . 23.4 ttm -55.67 -13.96 1.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.224 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -90.44 -23.16 21.09 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.106 -0.371 . . . . 0.0 111.79 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.43 54.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.077 0.465 . . . . 0.0 111.092 -178.306 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.58 123.85 46.49 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.439 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -39.68 127.69 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.646 2.231 . . . . 0.0 112.408 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.576 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 52.4 tp60 -49.85 -50.72 66.24 Favored Pre-proline 0 CA--C 1.534 0.364 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 13.2 Cg_endo -56.02 -28.21 68.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.109 1.873 . . . . 0.0 112.972 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 51.8 tp -78.14 -33.57 50.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.334 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' D' ' 27' ' ' LEU . 70.9 t -70.79 -39.61 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.37 -43.85 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.51 -44.06 93.22 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.883 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.26 -44.59 96.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.918 0.39 . . . . 0.0 110.421 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.34 -33.45 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.934 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.97 68.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.438 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.474 ' HG3' ' NZ ' ' D' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.77 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.77 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.374 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' B' ' 46' ' ' LEU . 1.6 tp -56.27 -48.6 76.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.217 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.682 HD13 HE22 ' C' ' 8' ' ' GLN . 1.1 mt -106.46 -78.5 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.95 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.22 31.48 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.175 0.512 . . . . 0.0 110.076 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.19 12.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.11 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -72.6 143.2 48.3 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.617 0.722 . . . . 0.0 110.513 179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 67.8 m-85 -126.0 164.67 20.31 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.361 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.18 126.0 54.57 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.631 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -111.3 109.51 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.559 -177.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.682 HE22 HD13 ' B' ' 46' ' ' LEU . 2.1 tt0 -82.15 113.09 19.76 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.139 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.599 HG21 HD22 ' C' ' 18' ' ' LEU . 12.5 t -119.57 126.34 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.326 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.8 tmt_? -96.58 139.06 33.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.005 0.431 . . . . 0.0 110.772 -177.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.12 124.39 2.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.769 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.38 -48.03 68.96 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -47.2 69.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.788 0.328 . . . . 0.0 111.877 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.42 ' CG ' HG13 ' C' ' 9' ' ' VAL . 48.3 t-20 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.462 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.6 t80 -57.08 -45.62 83.18 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.459 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.97 -46.02 89.71 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.42 -43.37 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.727 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 1.6 mp -74.45 -35.95 63.33 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.232 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.3 69.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.92 -37.73 74.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.705 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -69.62 -41.81 75.18 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.718 179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.487 ' NZ ' ' HG3' ' A' ' 43' ' ' GLN . 11.8 tttm -51.67 -40.65 60.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.75 -44.62 77.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.754 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.49 ' HB2' ' C ' ' A' ' 24' ' ' SER . 92.4 p -60.43 -49.35 77.93 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.494 HD12 HD13 ' D' ' 18' ' ' LEU . 12.0 mt -63.64 -45.65 89.26 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.9 mt-10 -65.84 -43.36 88.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.139 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.454 HD11 HG13 ' A' ' 36' ' ' VAL . 33.3 mt -66.1 -31.27 72.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.607 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' C' ' 28' ' ' MET . 23.4 ttm -55.75 -13.92 1.99 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 111.256 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.45 -23.1 21.09 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.089 -0.382 . . . . 0.0 111.805 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.69 2.38 54.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.034 0.445 . . . . 0.0 111.055 -178.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.64 123.87 46.34 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.381 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -39.71 127.68 1.8 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.604 2.203 . . . . 0.0 112.422 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 52.4 tp60 -49.83 -50.74 66.03 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 13.2 Cg_endo -55.97 -28.21 67.67 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.124 1.883 . . . . 0.0 112.989 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.611 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 51.8 tp -78.17 -33.58 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.299 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.449 HG13 HD11 ' A' ' 27' ' ' LEU . 70.5 t -70.8 -39.64 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -43.89 88.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -44.05 93.14 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.866 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -55.4 -33.49 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.351 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -65.37 -50.75 64.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.978 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.51 -25.93 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.443 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.486 ' HG3' ' NZ ' ' A' ' 22' ' ' LYS . 4.1 tm0? -77.21 -42.81 35.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -22.96 67.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.368 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' C' ' 46' ' ' LEU . 1.6 tp -56.23 -48.65 76.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.215 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.684 HD13 HE22 ' B' ' 8' ' ' GLN . 1.1 mt -106.48 -78.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.95 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.17 31.42 20.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.108 0.48 . . . . 0.0 110.094 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.98 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.11 12.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -79.02 -145.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.181 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.69 143.2 48.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.665 0.745 . . . . 0.0 110.543 179.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.7 m-85 -125.91 164.69 20.22 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.382 -178.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -114.19 125.98 54.54 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.581 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -111.25 109.5 19.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.562 -177.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.681 HE22 HD13 ' A' ' 46' ' ' LEU . 2.1 tt0 -82.14 113.1 19.76 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.177 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.587 HG21 HD22 ' D' ' 18' ' ' LEU . 12.5 t -119.61 126.29 75.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.302 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.8 tmt_? -96.48 139.01 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.777 -177.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.08 124.42 2.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.799 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.29 -48.13 68.62 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.26 -47.27 69.24 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.793 0.33 . . . . 0.0 111.879 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.404 ' CG ' HG13 ' D' ' 9' ' ' VAL . 48.4 t-20 -64.34 -46.59 82.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.5 t80 -57.02 -45.7 82.88 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.462 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -62.93 -45.94 90.13 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.433 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -62.52 -43.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.653 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.663 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 1.6 mp -74.42 -35.92 63.41 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.259 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.566 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -65.56 -49.39 69.03 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -57.8 -37.74 74.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.692 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.5 OUTLIER -69.68 -41.72 75.11 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.688 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' C' ' 8' ' ' GLN . 11.7 tttm -51.77 -40.62 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.71 -44.62 77.24 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.776 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' B' ' 24' ' ' SER . 92.6 p -60.49 -49.25 78.32 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.915 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.474 HD12 HD13 ' C' ' 18' ' ' LEU . 11.9 mt -63.7 -45.62 89.2 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.612 0.244 . . . . 0.0 111.266 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.9 mt-10 -65.95 -43.3 88.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.83 0.348 . . . . 0.0 111.116 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.447 HD11 HG13 ' B' ' 36' ' ' VAL . 33.3 mt -66.11 -31.26 72.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.57 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.412 ' HE2' HD12 ' B' ' 27' ' ' LEU . 23.5 ttm -55.77 -13.9 2.0 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.147 -1.021 . . . . 0.0 111.206 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.44 -23.2 21.08 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 122.1 -0.375 . . . . 0.0 111.764 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.955 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.65 2.47 54.7 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.131 0.491 . . . . 0.0 111.167 -178.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.955 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.63 123.83 46.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.382 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -39.69 127.68 1.78 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.593 2.195 . . . . 0.0 112.464 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 52.4 tp60 -49.86 -50.75 66.12 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 13.2 Cg_endo -55.99 -28.23 67.92 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.077 1.851 . . . . 0.0 113.011 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 51.6 tp -78.17 -33.53 50.13 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.268 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.447 HG13 HD11 ' B' ' 27' ' ' LEU . 71.3 t -70.76 -39.66 75.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.27 -43.95 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.43 -44.05 92.98 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.904 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -61.29 -44.49 97.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.962 0.411 . . . . 0.0 110.491 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.4 -33.41 63.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.44 -50.82 63.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.921 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.5 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.458 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.472 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 4.1 tm0? -77.24 -42.82 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -22.91 67.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.397 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' D' ' 46' ' ' LEU . 1.5 tp -56.25 -48.68 76.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.183 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.689 HD13 HE22 ' A' ' 8' ' ' GLN . 1.1 mt -106.43 -78.43 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.971 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.21 31.36 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.103 0.478 . . . . 0.0 110.089 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.042 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.316 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -166.21 11.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.32 -144.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.264 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.711 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.88 142.99 49.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.659 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.3 m-85 -126.34 166.84 16.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.54 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.09 55.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.909 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.3 tp -113.7 109.58 18.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.443 -177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.6 OUTLIER -82.34 114.67 20.96 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.402 179.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.733 HG21 HD13 ' A' ' 18' ' ' LEU . 40.9 t -119.33 125.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.481 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.17 140.35 31.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.808 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.64 123.73 2.46 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.758 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.47 -48.17 69.11 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.77 69.69 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -67.69 -43.94 78.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.029 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' B' ' 7' ' ' LEU . 17.2 t80 -58.24 -45.29 88.01 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.53 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.49 -45.88 85.39 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.566 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.0 OUTLIER -61.5 -43.39 96.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.285 179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 9' ' ' VAL . 4.0 mt -73.89 -36.37 64.77 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.576 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.65 -49.41 76.67 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' D' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.19 77.28 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.682 0.753 . . . . 0.0 109.067 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.591 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.85 94.71 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.59 -178.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 4.9 tttm -54.71 -39.39 68.13 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.32 -45.33 73.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.537 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' A' ' 21' ' ' LEU . 98.5 p -60.81 -47.09 87.91 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.684 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' A' ' 21' ' ' LEU . 18.2 mt -64.21 -46.05 85.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.692 0.282 . . . . 0.0 111.257 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 31.4 mt-10 -66.48 -43.3 85.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.892 0.377 . . . . 0.0 110.99 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' HE2' ' C' ' 28' ' ' MET . 31.9 mt -65.71 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.717 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.437 ' HE2' HD12 ' C' ' 27' ' ' LEU . 18.0 ttm -54.95 -13.53 1.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.396 -0.922 . . . . 0.0 111.244 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.41 -23.79 20.95 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -89.32 3.66 51.42 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.913 0.387 . . . . 0.0 111.3 -178.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.86 123.77 48.24 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -40.54 129.72 2.56 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.435 2.09 . . . . 0.0 112.256 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 29.5 tt0 -47.47 -44.65 54.52 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 50.7 Cg_exo -55.4 -30.02 71.11 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 122.122 1.881 . . . . 0.0 113.456 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.8 OUTLIER -77.66 -34.73 52.99 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.706 0.288 . . . . 0.0 111.255 -179.173 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.77 -40.38 79.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.78 -47.67 84.74 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.18 -44.54 94.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.755 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 75.7 mtp180 -55.74 -33.5 64.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.53 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -66.2 -42.95 88.1 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.7 -27.55 66.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.719 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.6 OUTLIER -84.07 -36.33 23.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.892 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 40' ' ' ARG . 23.1 mm-40 -59.55 -22.39 61.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.248 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.544 ' HG ' HD23 ' A' ' 46' ' ' LEU . 14.0 tp -55.46 -49.48 72.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.406 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.544 HD23 ' HG ' ' A' ' 45' ' ' LEU . 2.8 pp -163.13 118.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.063 0.458 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.642 HE22 HD12 ' D' ' 7' ' ' LEU . 30.0 tp60 -92.68 59.39 3.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.402 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.588 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 81.1 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.804 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -166.16 11.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.25 -144.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.321 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.92 142.98 49.47 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.629 0.728 . . . . 0.0 110.607 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.3 m-85 -126.31 166.82 16.44 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.497 -177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.0 m-85 -114.82 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.937 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.3 tp -113.68 109.63 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.393 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.653 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.37 114.69 21.0 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.536 -0.866 . . . . 0.0 110.378 179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.729 HG21 HD13 ' B' ' 18' ' ' LEU . 41.0 t -119.35 125.87 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.441 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.711 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.18 140.34 31.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.871 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.69 123.76 2.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.242 -0.98 . . . . 0.0 111.691 -179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.55 -48.11 69.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.34 -46.76 69.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -67.71 -44.02 78.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.838 ' CE1' HD13 ' A' ' 7' ' ' LEU . 17.3 t80 -58.12 -45.31 87.5 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.58 -45.88 85.14 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.564 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.35 96.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.305 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.729 HD13 HG21 ' B' ' 9' ' ' VAL . 4.0 mt -73.84 -36.45 64.92 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.56 -49.44 76.65 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.568 ' HG2' HD13 ' C' ' 17' ' ' ILE . 3.0 tptp -56.79 -41.22 77.32 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.045 176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.599 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -63.87 -43.93 94.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.601 -178.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.824 ' HZ1' ' HG3' ' D' ' 43' ' ' GLN . 4.9 tttm -54.66 -39.32 67.92 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.38 -45.28 73.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.52 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' B' ' 21' ' ' LEU . 99.9 p -60.87 -47.11 87.86 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.584 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.441 HD12 HD22 ' B' ' 21' ' ' LEU . 18.1 mt -64.22 -46.05 85.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.672 0.272 . . . . 0.0 111.235 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 31.4 mt-10 -66.49 -43.21 86.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.009 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.459 HD12 ' HE2' ' D' ' 28' ' ' MET . 32.0 mt -65.82 -32.45 73.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.711 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.462 ' HE2' HD12 ' D' ' 27' ' ' LEU . 18.1 ttm -54.9 -13.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.382 -0.927 . . . . 0.0 111.267 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.45 -23.71 20.92 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -89.38 3.62 51.65 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.971 0.415 . . . . 0.0 111.282 -178.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.78 123.7 48.64 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -40.43 129.69 2.47 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.497 2.131 . . . . 0.0 112.239 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 29.6 tt0 -47.57 -44.62 55.59 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.408 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 50.8 Cg_exo -55.38 -30.01 70.89 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.146 1.898 . . . . 0.0 113.421 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.71 52.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.699 0.285 . . . . 0.0 111.256 -179.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.74 -40.38 79.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.86 -47.61 85.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.73 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.76 -46.73 88.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 44' ' ' GLN . 75.8 mtp180 -55.67 -33.45 64.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.24 -42.97 87.83 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -59.73 -27.46 66.5 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.754 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.6 OUTLIER -84.2 -36.32 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.912 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 40' ' ' ARG . 23.0 mm-40 -59.54 -22.39 61.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' B' ' 46' ' ' LEU . 14.1 tp -55.39 -49.56 72.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.465 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' B' ' 45' ' ' LEU . 2.8 pp -163.02 118.08 1.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.639 ' NE2' HD12 ' C' ' 7' ' ' LEU . 30.5 tp60 -92.58 59.27 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.471 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.744 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.838 0.351 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -78.41 -144.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.22 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.717 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 142.97 49.54 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.661 0.743 . . . . 0.0 110.615 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.3 m-85 -126.35 166.86 16.38 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.488 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.82 127.08 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.925 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.84 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.3 tp -113.7 109.62 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.427 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.6 OUTLIER -82.33 114.79 21.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.419 179.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.73 HG21 HD13 ' C' ' 18' ' ' LEU . 40.9 t -119.43 125.93 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.412 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.22 140.3 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.033 0.444 . . . . 0.0 110.871 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.73 123.77 2.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.271 -0.966 . . . . 0.0 111.768 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.59 -48.06 69.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -53.35 -46.81 69.67 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -67.62 -44.05 78.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.066 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.839 ' CE1' HD13 ' D' ' 7' ' ' LEU . 17.2 t80 -58.15 -45.27 87.71 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.529 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.5 -45.92 85.18 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.568 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.0 OUTLIER -61.52 -43.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.317 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.73 HD13 HG21 ' C' ' 9' ' ' VAL . 4.0 mt -73.82 -36.51 64.96 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.581 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.53 -49.43 76.73 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.564 ' HG2' HD13 ' B' ' 17' ' ' ILE . 3.0 tptp -56.85 -41.2 77.49 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 121.654 0.74 . . . . 0.0 109.03 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.591 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.568 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.719 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 4.9 tttm -54.74 -39.34 68.17 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.36 73.12 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.45 ' OG ' HD23 ' C' ' 21' ' ' LEU . 99.8 p -60.75 -47.13 87.69 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.672 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.44 HD12 HD22 ' C' ' 21' ' ' LEU . 18.3 mt -64.17 -46.04 85.78 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 31.4 mt-10 -66.43 -43.25 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.004 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.437 HD12 ' HE2' ' A' ' 28' ' ' MET . 32.0 mt -65.77 -32.52 74.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.707 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.439 ' HE2' HD12 ' A' ' 27' ' ' LEU . 18.2 ttm -54.94 -13.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.36 -0.936 . . . . 0.0 111.265 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.38 -23.77 20.98 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.953 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.69 51.35 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.961 0.41 . . . . 0.0 111.313 -178.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.953 HG21 HD21 ' A' ' 30' ' ' LEU . 2.7 p -98.84 123.71 48.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.52 129.73 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.496 2.13 . . . . 0.0 112.193 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 29.5 tt0 -47.56 -44.6 55.27 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.402 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 50.7 Cg_exo -55.44 -29.99 71.36 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.158 1.905 . . . . 0.0 113.418 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.541 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -77.77 -34.65 52.26 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.68 0.276 . . . . 0.0 111.225 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 50.8 t -69.78 -40.38 79.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.75 -47.7 84.63 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -60.2 -44.5 95.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.748 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.84 -46.65 88.56 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.928 0.394 . . . . 0.0 110.721 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' C' ' 44' ' ' GLN . 75.8 mtp180 -55.71 -33.47 64.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.544 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -66.19 -43.04 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.65 -27.46 66.39 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.231 0.539 . . . . 0.0 109.554 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.734 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -84.12 -36.33 23.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.935 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' C' ' 40' ' ' ARG . 23.2 mm-40 -59.51 -22.48 61.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.253 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' C' ' 46' ' ' LEU . 14.1 tp -55.33 -49.56 71.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.479 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.542 HD23 ' HG ' ' C' ' 45' ' ' LEU . 2.8 pp -163.05 118.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.633 HE22 HD12 ' B' ' 7' ' ' LEU . 30.2 tp60 -92.53 59.29 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.436 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.742 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.813 0.339 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.409 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -166.24 11.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.32 -144.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.264 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.87 143.09 49.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.64 0.734 . . . . 0.0 110.595 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -126.4 166.9 16.33 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.487 -177.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.588 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.0 m-85 -114.81 127.07 55.51 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.711 -0.796 . . . . 0.0 109.926 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.839 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.3 tp -113.73 109.58 18.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.426 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.6 OUTLIER -82.3 114.76 21.0 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.44 179.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.725 HG21 HD13 ' D' ' 18' ' ' LEU . 41.0 t -119.42 125.86 74.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.465 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.717 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.19 140.38 30.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.052 0.453 . . . . 0.0 110.867 -177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.53 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.7 123.63 2.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.784 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -53.5 -48.07 69.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -53.37 -46.81 69.74 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -67.68 -44.01 78.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.058 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.84 ' CE1' HD13 ' C' ' 7' ' ' LEU . 17.1 t80 -58.2 -45.31 87.84 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.535 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.51 -45.84 85.51 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -61.54 -43.35 96.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.248 179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.725 HD13 HG21 ' D' ' 9' ' ' VAL . 4.0 mt -73.87 -36.44 64.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.571 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.6 -49.47 76.47 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 17' ' ' ILE . 3.0 tptp -56.76 -41.16 77.12 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.642 0.734 . . . . 0.0 109.04 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.599 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -63.91 -43.89 94.59 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.605 -178.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.754 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 4.9 tttm -54.68 -39.41 68.07 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -45.34 73.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.497 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.451 ' OG ' HD23 ' D' ' 21' ' ' LEU . 100.0 p -60.76 -47.03 88.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.664 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.437 HD12 HD22 ' D' ' 21' ' ' LEU . 18.1 mt -64.32 -46.07 85.12 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.684 0.278 . . . . 0.0 111.234 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 31.4 mt-10 -66.36 -43.33 86.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 0.0 110.975 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.462 HD12 ' HE2' ' B' ' 28' ' ' MET . 32.0 mt -65.75 -32.43 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.725 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.459 ' HE2' HD12 ' B' ' 27' ' ' LEU . 18.1 ttm -55.03 -13.47 1.16 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.263 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.42 -23.73 20.95 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.986 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -89.35 3.63 51.55 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.984 0.421 . . . . 0.0 111.249 -178.16 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.986 HG21 HD21 ' B' ' 30' ' ' LEU . 2.7 p -98.81 123.73 48.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -40.43 129.67 2.47 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 29.5 tt0 -47.43 -44.73 54.44 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.472 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.7 Cg_exo -55.31 -30.03 70.41 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.11 1.874 . . . . 0.0 113.466 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.9 OUTLIER -77.7 -34.68 52.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.705 0.288 . . . . 0.0 111.262 -179.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 50.7 t -69.77 -40.4 79.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.77 -47.73 84.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 58.5 m -60.15 -44.54 94.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -61.82 -46.64 88.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.396 . . . . 0.0 110.723 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' D' ' 44' ' ' GLN . 75.7 mtp180 -55.73 -33.49 64.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.497 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.22 -42.98 87.94 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -59.71 -27.44 66.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.824 ' HG3' ' HZ1' ' B' ' 22' ' ' LYS . 0.6 OUTLIER -84.2 -36.28 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.925 178.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' D' ' 40' ' ' ARG . 23.1 mm-40 -59.53 -22.46 61.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.27 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' D' ' 46' ' ' LEU . 14.1 tp -55.31 -49.6 71.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.466 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.54 HD23 ' HG ' ' D' ' 45' ' ' LEU . 2.8 pp -163.04 118.08 1.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.277 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.635 ' NE2' HD12 ' A' ' 7' ' ' LEU . 30.4 tp60 -92.56 59.3 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 81.2 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.3 pt-20 -76.24 20.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.363 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.37 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.42 143.41 48.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.665 0.745 . . . . 0.0 110.82 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.65 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 61.7 m-85 -126.14 165.69 18.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.665 -177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.495 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.78 127.23 55.61 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.862 -0.735 . . . . 0.0 109.785 176.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.814 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -113.25 109.69 19.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.609 -177.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.34 113.83 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.775 179.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' B' ' 22' ' ' LYS . 44.4 t -118.6 125.25 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.153 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.66 35.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.018 0.437 . . . . 0.0 110.947 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.2 124.84 3.46 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.732 -179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HB2' ' HB2' ' B' ' 2' ' ' GLU . 3.9 tpt180 -53.39 -49.2 67.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.36 -47.2 69.63 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' O ' HD12 ' A' ' 18' ' ' LEU . 34.2 m-20 -65.94 -45.03 83.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.711 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.811 ' CE1' HD13 ' B' ' 7' ' ' LEU . 14.5 t80 -56.7 -45.27 81.92 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.285 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.22 -44.79 94.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' D' ' 17' ' ' ILE . 1.2 mt -63.06 -44.39 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.757 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -72.98 -41.02 64.79 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.866 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.6 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.98 -48.47 81.45 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HD2' HD21 ' C' ' 25' ' ' LEU . 8.0 tmtm? -58.26 -35.78 72.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' C' ' 21' ' ' LEU . 5.6 tp -71.89 -40.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.95 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.2 tmmt? -56.17 -39.01 71.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -66.17 -45.08 82.14 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.059 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.595 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 4.1 m -63.7 -50.13 70.4 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.625 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' C' ' 20' ' ' LYS . 13.0 mt -61.96 -46.01 91.13 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 23.4 mt-10 -64.43 -43.16 95.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 111.386 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' CB ' ' HE1' ' C' ' 28' ' ' MET . 32.0 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.592 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.62 -13.46 1.0 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 120.879 -1.138 . . . . 0.0 112.309 -178.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 10.4 pt-20 -90.07 -17.29 28.01 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.96 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -95.57 -1.9 49.49 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.957 HG21 HD21 ' C' ' 30' ' ' LEU . 2.7 p -98.35 123.94 48.71 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.04 128.17 2.83 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.464 2.109 . . . . 0.0 112.364 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 64.8 tt0 -48.27 -45.03 65.55 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.377 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 51.0 Cg_exo -55.7 -29.19 69.94 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.099 1.866 . . . . 0.0 113.002 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HB3' HD11 ' C' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.66 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.288 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.89 -40.35 78.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.9 -45.87 91.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m -60.18 -44.17 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.257 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -61.87 -46.91 87.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.837 0.351 . . . . 0.0 110.684 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.63 65.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.566 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.2 -50.52 46.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.906 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.38 -26.15 68.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.54 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.317 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 4.3 tp60 -66.85 -23.18 66.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.836 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.74 73.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.316 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.2 tp -132.64 86.21 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.75 49.16 1.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.274 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.808 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.785 0.326 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.3 pt-20 -76.06 20.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.445 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.29 -141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.34 143.42 48.64 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.672 0.749 . . . . 0.0 110.838 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 61.3 m-85 -126.12 165.8 18.19 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.707 -177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.487 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.5 m-85 -114.86 127.16 55.55 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.751 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.811 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -113.19 109.68 19.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.661 -177.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.37 113.8 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.757 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' A' ' 22' ' ' LYS . 44.6 t -118.53 125.29 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.178 -178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -96.71 137.61 35.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.19 124.87 3.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.413 -0.899 . . . . 0.0 111.732 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 3.9 tpt180 -53.43 -49.22 67.81 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.3 -47.21 69.41 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.456 ' O ' HD12 ' B' ' 18' ' ' LEU . 34.6 m-20 -66.06 -44.88 83.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.638 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.814 ' CE1' HD13 ' A' ' 7' ' ' LEU . 14.5 t80 -56.84 -45.24 82.49 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.23 -44.79 94.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' C' ' 17' ' ' ILE . 1.2 mt -63.04 -44.33 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -73.01 -41.05 64.67 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.871 -179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.616 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.97 -48.46 81.46 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.417 ' HD2' HD21 ' D' ' 25' ' ' LEU . 8.0 tmtm? -58.17 -35.86 72.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' D' ' 21' ' ' LEU . 5.7 tp -71.89 -40.13 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.952 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.2 tmmt? -56.16 -39.11 71.83 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.09 -45.11 82.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.099 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 4.2 m -63.72 -50.09 70.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.629 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.425 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.0 mt -61.99 -45.95 91.36 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.14 95.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.392 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 31.9 mt -64.12 -25.68 68.2 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.64 -13.44 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.912 -1.118 . . . . 0.0 112.302 -178.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 10.4 pt-20 -90.13 -17.28 27.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.943 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -95.61 -1.92 49.32 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' D' ' 30' ' ' LEU . 2.7 p -98.32 123.99 48.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -41.09 128.17 2.89 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.474 2.116 . . . . 0.0 112.364 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 64.8 tt0 -48.32 -44.99 66.05 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.359 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 51.1 Cg_exo -55.71 -29.17 69.95 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.051 1.834 . . . . 0.0 113.053 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' D' ' 30' ' ' LEU . 0.5 OUTLIER -78.29 -35.6 47.68 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.259 -179.19 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.82 -40.4 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -59.9 -45.85 91.22 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 54.6 m -60.18 -44.08 95.36 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.311 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -61.91 -46.95 87.13 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 98.1 mtt180 -55.96 -33.6 64.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.611 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.58 45.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.925 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.23 -26.17 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.93 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.288 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 4.2 tp60 -66.83 -23.2 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.82 72.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.273 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.3 tp -132.61 86.2 2.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.68 49.13 1.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.274 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.494 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.518 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.3 pt-20 -76.13 20.7 0.19 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.44 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -75.34 -141.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.37 143.44 48.59 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 179.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 62.3 m-85 -126.13 165.77 18.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.708 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.494 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.88 127.18 55.55 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.785 176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.6 OUTLIER -113.14 109.67 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.662 -177.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.4 113.78 20.4 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.731 179.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' D' ' 22' ' ' LYS . 44.3 t -118.5 125.32 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.119 -178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -96.73 137.71 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -177.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.08 124.99 3.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.681 -179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' D' ' 2' ' ' GLU . 4.0 tpt180 -53.54 -49.26 68.01 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.23 -47.14 69.25 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.463 ' O ' HD12 ' C' ' 18' ' ' LEU . 34.7 m-20 -66.11 -44.9 82.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.638 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 14.5 t80 -56.81 -45.33 82.33 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.22 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.14 -44.88 94.31 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' B' ' 17' ' ' ILE . 1.2 mt -62.95 -44.43 99.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' D' ' 18' ' ' LEU . 0.8 OUTLIER -72.94 -41.08 64.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.815 -179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.598 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.92 -48.5 81.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.429 ' HD2' HD21 ' A' ' 25' ' ' LEU . 8.0 tmtm? -58.21 -35.78 72.16 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.999 HD13 HD13 ' A' ' 21' ' ' LEU . 5.7 tp -71.88 -40.26 69.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.955 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.63 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.2 tmmt? -56.08 -39.17 71.7 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.05 -45.09 82.61 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.171 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.592 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 4.1 m -63.7 -50.17 70.23 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.613 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 20' ' ' LYS . 13.1 mt -61.81 -46.03 91.27 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 23.5 mt-10 -64.45 -43.17 95.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 0.0 111.401 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 31.6 mt -64.09 -25.79 68.25 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.57 -13.51 1.0 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 118.929 -1.108 . . . . 0.0 112.302 -178.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 10.4 pt-20 -90.06 -17.3 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.957 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -95.71 -1.86 49.1 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.96 HG21 HD21 ' A' ' 30' ' ' LEU . 2.6 p -98.35 123.97 48.57 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -41.01 128.02 2.77 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.508 2.138 . . . . 0.0 112.416 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 64.8 tt0 -48.1 -45.07 63.68 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.398 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 51.0 Cg_exo -55.69 -29.22 70.02 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.1 1.867 . . . . 0.0 113.026 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.441 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -78.27 -35.62 47.83 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.308 -179.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.8 -40.45 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -59.89 -45.82 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 54.3 m -60.17 -44.16 95.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.278 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.83 -46.94 87.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.84 0.353 . . . . 0.0 110.705 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 98.0 mtt180 -56.07 -33.54 65.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.566 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.19 -50.59 46.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.928 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.2 -26.26 68.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.7 -31.8 22.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.294 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 4.3 tp60 -66.89 -23.19 65.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.861 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -49.7 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.269 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 46.6 tp -132.68 86.15 2.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.579 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.66 49.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.284 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.487 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.511 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.2 pt-20 -76.18 20.8 0.19 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.404 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.37 -141.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.36 143.39 48.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 61.9 m-85 -126.08 165.77 18.23 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.47 -1.241 . . . . 0.0 110.678 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.485 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.2 55.56 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.716 176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.6 OUTLIER -113.21 109.68 19.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.619 -177.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.41 113.77 20.39 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.8 179.207 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.63 HG22 ' HG3' ' C' ' 22' ' ' LYS . 44.2 t -118.5 125.21 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.161 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -96.66 137.75 35.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 110.908 -177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.1 124.96 3.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.692 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' C' ' 2' ' ' GLU . 4.0 tpt180 -53.52 -49.12 68.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.38 -47.12 69.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.454 ' O ' HD12 ' D' ' 18' ' ' LEU . 34.7 m-20 -66.06 -44.94 83.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.655 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.818 ' CE1' HD13 ' C' ' 7' ' ' LEU . 14.5 t80 -56.82 -45.25 82.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.243 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.24 -44.78 94.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.413 HG12 HG12 ' A' ' 17' ' ' ILE . 1.2 mt -63.13 -44.26 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.811 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.75 HD23 HD23 ' C' ' 18' ' ' LEU . 0.8 OUTLIER -73.05 -40.98 64.64 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.859 -179.521 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.618 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.01 -48.38 81.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.414 ' HD2' HD21 ' B' ' 25' ' ' LEU . 8.0 tmtm? -58.31 -35.78 72.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 1.0 HD13 HD13 ' B' ' 21' ' ' LEU . 5.6 tp -71.87 -40.21 69.12 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.945 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.632 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.2 tmmt? -56.09 -39.12 71.65 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -66.13 -45.05 82.45 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.131 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.593 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 4.1 m -63.74 -50.1 70.44 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.626 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' C' ' 14' ' ' ASN . 13.1 mt -61.89 -46.0 91.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 23.4 mt-10 -64.48 -43.21 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 111.334 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.464 ' CB ' ' HE1' ' B' ' 28' ' ' MET . 31.8 mt -64.13 -25.7 68.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.54 -13.53 0.99 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.898 -1.126 . . . . 0.0 112.337 -178.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 10.4 pt-20 -90.02 -17.31 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -95.64 -1.96 49.12 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.943 HG21 HD21 ' B' ' 30' ' ' LEU . 2.6 p -98.33 123.99 48.55 Favored Pre-proline 0 N--CA 1.452 -0.372 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -41.05 128.11 2.84 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.444 2.096 . . . . 0.0 112.417 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 64.8 tt0 -48.21 -45.03 64.89 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.399 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 50.9 Cg_exo -55.7 -29.22 70.05 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.115 1.876 . . . . 0.0 113.022 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.44 ' HB3' HD11 ' B' ' 30' ' ' LEU . 0.5 OUTLIER -78.26 -35.63 47.85 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.293 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.84 -40.4 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.92 -45.8 91.42 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -60.22 -44.14 95.43 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.282 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.85 0.357 . . . . 0.0 110.714 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 98.0 mtt180 -55.99 -33.57 64.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.588 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -69.23 -50.48 46.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.903 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.35 -26.16 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -85.66 -31.97 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.294 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 4.2 tp60 -66.82 -23.17 66.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.855 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -49.76 72.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.29 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 46.1 tp -132.72 86.26 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.532 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.75 49.18 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.209 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.495 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 79.1 mtp180 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.83 15.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.08 -144.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.209 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.65 142.41 49.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.637 0.732 . . . . 0.0 110.462 179.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -125.78 164.56 20.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.475 -178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -114.52 126.68 55.21 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.692 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.813 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.15 109.57 19.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.639 -177.65 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 1.3 tt0 -81.81 112.5 19.01 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.362 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.611 HG21 HD13 ' A' ' 18' ' ' LEU . 41.8 t -119.04 125.05 74.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.957 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -95.97 136.95 35.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.096 0.475 . . . . 0.0 110.792 -177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 94.12 124.16 3.91 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.664 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.51 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.43 -46.35 69.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.8 0.333 . . . . 0.0 111.6 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' B' ' 25' ' ' LEU . 1.8 m-20 -64.8 -45.58 85.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.89 85.6 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.423 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.75 -45.37 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.2 mt -62.93 -44.35 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' B' ' 18' ' ' LEU . 0.6 OUTLIER -72.55 -40.74 66.47 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.887 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.591 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -59.85 -48.11 83.0 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.4 tmtm? -57.78 -37.04 72.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' C' ' 21' ' ' LEU . 3.5 tp -72.04 -42.9 65.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.749 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 2.1 tmtm? -53.88 -40.2 66.38 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.64 80.61 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.917 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.625 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 80.3 p -60.92 -50.26 74.12 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.352 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' ' ND2' ' B' ' 14' ' ' ASN . 12.2 mt -61.73 -45.78 92.45 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.75 95.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.943 0.401 . . . . 0.0 111.362 -178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 30' ' ' LEU . 30.7 mt -64.47 -25.74 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -54.68 -13.97 1.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.751 -1.218 . . . . 0.0 112.411 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.2 pt-20 -90.28 -16.88 28.44 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.814 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -96.08 -1.82 47.92 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.84 123.78 50.32 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.83 125.39 3.01 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.23 1.953 . . . . 0.0 111.84 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.41 Favored Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 32.5 Cg_exo -58.53 -28.51 85.91 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 121.923 1.749 . . . . 0.0 112.85 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 57.2 tp -79.39 -34.53 41.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.428 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.48 -39.16 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.31 -42.94 87.8 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.14 92.01 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.562 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 3.9 t80 -60.54 -44.37 96.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 109.872 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.44 -33.13 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.148 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.3 -45.88 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 55.4 tt0 -62.81 -25.37 68.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.749 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.23 -45.46 22.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.347 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.54 -21.7 62.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.115 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 ' HG ' ' HG ' ' A' ' 46' ' ' LEU . 3.0 tp -54.84 -43.5 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.974 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' HG ' ' HG ' ' A' ' 45' ' ' LEU . 41.8 mt -129.63 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.4 51.76 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.067 0.461 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.236 -179.834 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.8 15.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -82.01 -144.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.199 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.37 49.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.446 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.5 m-85 -125.79 164.59 20.35 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.471 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.7 55.24 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.627 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.18 109.59 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.63 -177.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 1.3 tt0 -81.89 112.54 19.1 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.334 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.597 HG21 HD13 ' B' ' 18' ' ' LEU . 41.7 t -119.04 125.11 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.942 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.03 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 110.811 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.98 124.24 3.88 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.455 -0.879 . . . . 0.0 111.652 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.34 -49.53 66.9 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.36 69.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 25' ' ' LEU . 1.8 m-20 -64.77 -45.54 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -57.63 -44.89 85.89 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -63.67 -45.36 90.46 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.433 HD13 ' HB3' ' C' ' 20' ' ' LYS . 1.2 mt -62.94 -44.27 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.761 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.733 HD23 HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -72.63 -40.72 66.21 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.899 -179.456 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.577 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.86 -48.16 82.81 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.504 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.5 tmtm? -57.74 -37.05 72.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' D' ' 21' ' ' LEU . 3.5 tp -72.07 -42.81 65.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.788 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 2.1 tmtm? -53.89 -40.19 66.4 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 9.0 tt0 -66.93 -44.48 80.57 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.925 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.619 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 80.5 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' A' ' 14' ' ' ASN . 12.2 mt -61.71 -45.81 92.34 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -62.31 -44.74 95.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.853 0.359 . . . . 0.0 111.344 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' D' ' 28' ' ' MET . 30.6 mt -64.41 -25.82 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.62 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -54.6 -14.01 1.18 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 118.737 -1.185 . . . . 0.0 112.46 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.2 pt-20 -90.26 -16.91 28.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.305 -0.247 . . . . 0.0 111.618 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.84 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -96.05 -1.78 48.1 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.86 123.8 50.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -41.82 125.37 3.0 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.253 1.968 . . . . 0.0 111.813 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 5.4 tp-100 -49.99 -47.04 81.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 32.5 Cg_exo -58.67 -28.45 86.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.872 1.715 . . . . 0.0 112.824 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 57.0 tp -79.41 -34.47 41.73 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.439 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.56 -39.11 75.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.29 -43.0 87.81 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.9 m -59.12 -44.11 91.97 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.553 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 4.0 t80 -60.62 -44.32 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.007 0.432 . . . . 0.0 109.897 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.38 -33.21 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.184 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -67.24 -45.91 75.33 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 55.5 tt0 -62.77 -25.37 68.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.767 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.32 -45.37 22.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.343 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.59 -21.67 62.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.045 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' HG ' ' B' ' 46' ' ' LEU . 3.0 tp -54.92 -43.4 73.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.466 ' HG ' ' HG ' ' B' ' 45' ' ' LEU . 42.3 mt -129.71 -71.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.35 51.8 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.059 0.457 . . . . 0.0 109.876 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.072 -0.965 . . . . 0.0 111.12 -179.817 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.787 0.327 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.75 15.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -82.05 -144.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.209 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.52 142.42 50.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.511 179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.638 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.6 m-85 -125.88 164.5 20.61 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.504 -178.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.42 126.79 55.37 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 119.833 -0.747 . . . . 0.0 109.646 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.51 19.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.677 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.55 19.03 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.358 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.613 HG21 HD13 ' C' ' 18' ' ' LEU . 41.7 t -119.03 125.04 74.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.961 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.01 137.05 35.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.813 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.49 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 94.04 124.21 3.9 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.668 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.35 -49.57 66.83 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.42 -46.32 69.74 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.773 0.321 . . . . 0.0 111.634 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.513 ' ND2' ' HB3' ' D' ' 25' ' ' LEU . 1.8 m-20 -64.78 -45.54 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -57.65 -44.9 86.01 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.396 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.77 -45.28 90.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.2 mt -62.97 -44.3 99.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.795 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 0.6 OUTLIER -72.62 -40.68 66.28 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.89 -179.464 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.593 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -59.89 -48.08 83.14 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -57.81 -36.98 72.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.97 HD13 HD13 ' A' ' 21' ' ' LEU . 3.5 tp -72.08 -42.97 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.702 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' C' ' 26' ' ' GLU . 2.1 tmtm? -53.82 -40.24 66.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.474 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 9.0 tt0 -66.82 -44.52 80.93 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.963 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.622 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 80.8 p -61.06 -50.23 74.16 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.307 179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.511 ' HB3' ' ND2' ' D' ' 14' ' ' ASN . 12.2 mt -61.74 -45.8 92.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' C' ' 22' ' ' LYS . 0.3 OUTLIER -62.32 -44.68 95.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 111.319 -178.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.489 ' CB ' ' HE1' ' A' ' 28' ' ' MET . 30.4 mt -64.56 -25.74 68.11 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.625 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -54.69 -13.95 1.19 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.792 -1.193 . . . . 0.0 112.413 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.1 pt-20 -90.24 -16.9 28.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.28 -0.263 . . . . 0.0 111.617 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.813 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -96.11 -1.8 47.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.94 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.83 123.81 50.26 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -41.88 125.41 3.06 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.218 1.945 . . . . 0.0 111.849 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.477 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 5.4 tp-100 -50.0 -47.03 81.82 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 32.7 Cg_exo -58.64 -28.52 86.45 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.919 1.746 . . . . 0.0 112.786 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 57.3 tp -79.42 -34.5 41.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.402 -178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.3 t -70.5 -39.17 75.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.29 -42.95 87.71 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -59.13 -44.15 92.03 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.553 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 4.0 t80 -60.56 -44.34 96.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.42 -33.15 63.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.33 -45.85 75.2 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 55.5 tt0 -62.75 -25.41 68.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.787 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.26 -45.43 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.336 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.58 -21.67 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.104 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.454 ' HG ' ' HG ' ' C' ' 46' ' ' LEU . 3.0 tp -54.93 -43.43 73.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.987 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.454 ' HG ' ' HG ' ' C' ' 45' ' ' LEU . 42.3 mt -129.62 -71.79 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 51.8 9.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.104 0.478 . . . . 0.0 109.915 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.075 -0.965 . . . . 0.0 111.164 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.8 15.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -81.99 -144.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.167 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.68 142.4 49.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.682 0.753 . . . . 0.0 110.471 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.657 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.9 m-85 -125.79 164.55 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.499 -1.228 . . . . 0.0 110.482 -178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -114.5 126.8 55.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.61 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.81 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.31 109.52 19.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.681 -177.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.638 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 1.3 tt0 -81.78 112.46 18.95 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.381 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.596 HG21 HD13 ' D' ' 18' ' ' LEU . 41.8 t -118.97 125.08 74.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.029 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.804 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 94.04 124.19 3.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.743 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -53.31 -49.52 66.86 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -53.46 -46.36 69.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.737 0.304 . . . . 0.0 111.614 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' C' ' 25' ' ' LEU . 1.8 m-20 -64.7 -45.66 85.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.443 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -57.56 -44.98 85.67 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.409 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.67 -45.36 90.47 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 20' ' ' LYS . 1.2 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.768 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 0.6 OUTLIER -72.61 -40.75 66.25 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.896 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.583 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -59.78 -48.15 82.85 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.5 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -57.75 -37.05 72.96 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.982 HD13 HD13 ' B' ' 21' ' ' LEU . 3.5 tp -72.07 -42.83 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.781 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' D' ' 26' ' ' GLU . 2.1 tmtm? -53.94 -40.15 66.52 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.468 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 9.0 tt0 -66.91 -44.53 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.925 178.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.62 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 80.5 p -61.06 -50.22 74.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.33 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.513 ' HB3' ' ND2' ' C' ' 14' ' ' ASN . 12.2 mt -61.71 -45.78 92.49 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' D' ' 22' ' ' LYS . 0.3 OUTLIER -62.3 -44.78 95.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.32 -178.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.472 HD23 HD13 ' D' ' 30' ' ' LEU . 30.8 mt -64.49 -25.66 68.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.619 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -54.71 -13.97 1.2 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.75 -1.18 . . . . 0.0 112.459 -178.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.1 pt-20 -90.16 -17.07 28.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.603 0.24 . . . . 0.0 111.637 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.842 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -96.04 -1.78 48.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.95 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.81 123.8 50.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -41.79 125.41 2.99 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.241 1.961 . . . . 0.0 111.84 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 5.4 tp-100 -49.97 -47.13 81.42 Favored Pre-proline 0 CA--C 1.533 0.324 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 32.5 Cg_exo -58.59 -28.54 86.26 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 121.919 1.746 . . . . 0.0 112.808 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 57.0 tp -79.34 -34.52 42.11 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.424 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.55 -39.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.26 -43.0 87.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 52.5 m -59.12 -44.08 91.99 Favored 'General case' 0 C--N 1.334 -0.075 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.541 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 3.9 t80 -60.61 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.018 0.437 . . . . 0.0 109.881 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -55.41 -33.1 63.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.164 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.81 75.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . 0.44 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 55.5 tt0 -62.76 -25.44 68.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.764 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -78.3 -45.45 22.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.281 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -60.53 -21.71 62.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' D' ' 46' ' ' LEU . 3.0 tp -54.86 -43.45 73.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.016 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.467 ' HG ' ' HG ' ' D' ' 45' ' ' LEU . 42.4 mt -129.68 -71.76 0.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.31 51.81 9.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.458 . . . . 0.0 109.921 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.087 -0.958 . . . . 0.0 111.102 -179.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 11.6 pt-20 -165.46 13.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.15 -145.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.09 49.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.907 0.86 . . . . 0.0 110.428 179.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.613 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 55.2 m-85 -127.15 163.23 24.28 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.865 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.8 m-85 -114.34 128.37 56.32 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.44 177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.2 OUTLIER -113.15 111.02 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.886 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.5 tt0 -85.77 113.58 22.05 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.795 HG21 HD13 ' A' ' 18' ' ' LEU . 49.2 t -123.42 127.37 74.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.607 -177.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.69 26.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.441 -177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 84.59 125.75 1.36 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.985 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.36 -49.51 69.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' OE1' ' HE2' ' D' ' 20' ' ' LYS . 40.7 tt0 -51.94 -46.27 64.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 111.196 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.49 -42.76 82.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.022 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.1 t80 -65.15 -49.32 70.33 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.369 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.75 -38.0 74.61 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.576 HD13 ' HG2' ' D' ' 20' ' ' LYS . 1.2 mt -67.98 -43.7 85.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.729 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.795 HD13 HG21 ' A' ' 9' ' ' VAL . 7.4 mt -75.42 -29.28 59.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.607 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.505 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.04 -42.67 59.94 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' D' ' 17' ' ' ILE . 2.4 tttp -64.02 -31.75 73.05 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -41.82 66.32 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.582 -1.644 . . . . 0.0 109.985 -178.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.724 ' HZ1' ' HG3' ' C' ' 43' ' ' GLN . 8.8 tttm -57.44 -38.91 75.17 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.86 -46.47 71.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.315 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB2' ' C ' ' C' ' 24' ' ' SER . 96.7 p -60.2 -45.17 94.06 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 21' ' ' LEU . 16.7 mt -66.96 -46.22 75.35 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 41.1 mt-10 -70.67 -35.62 72.93 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.871 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.545 HD11 HG13 ' C' ' 36' ' ' VAL . 25.6 mt -72.12 -23.59 61.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.086 0.469 . . . . 0.0 110.734 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' C' ' 27' ' ' LEU . 20.1 ttm -65.49 -12.2 50.47 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.883 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 3.7 pt-20 -90.39 -20.52 22.73 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.567 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -97.25 4.21 51.05 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.269 0.557 . . . . 0.0 110.971 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -100.12 123.4 47.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.276 178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.33 125.09 1.81 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -53.17 -46.52 97.74 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 31.7 Cg_exo -58.21 -28.65 84.93 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 121.516 1.477 . . . . 0.0 112.006 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 61.3 tp -78.8 -31.26 45.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.174 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' C' ' 27' ' ' LEU . 40.3 t -69.51 -43.31 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.87 -41.88 83.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.456 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.49 -43.55 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.151 0.5 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.63 -45.97 92.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.818 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.48 -38.36 69.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.817 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.16 -49.26 78.54 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.44 64.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.316 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.68 ' HG3' ' HZ1' ' C' ' 22' ' ' LYS . 0.5 OUTLIER -78.77 -42.16 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.407 179.275 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.86 -22.52 62.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.2 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 2.7 tp -55.21 -50.07 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.064 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.18 -74.64 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.737 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.86 35.45 24.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.059 0.457 . . . . 0.0 110.165 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 40.4 ptt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.358 -0.829 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.438 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.16 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.308 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.54 145.01 49.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.912 0.863 . . . . 0.0 110.407 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 55.8 m-85 -127.06 163.16 24.36 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.053 -1.43 . . . . 0.0 110.903 -177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.8 m-85 -114.26 128.33 56.31 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.946 -0.702 . . . . 0.0 109.473 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.827 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -113.1 111.0 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.909 -177.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.5 tt0 -85.75 113.55 22.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.802 HG21 HD13 ' B' ' 18' ' ' LEU . 49.5 t -123.37 127.33 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.653 -177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.7 tmt_? -96.54 144.7 26.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.362 -177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 84.62 125.72 1.37 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.043 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.32 -49.56 69.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.405 ' OE1' ' HE2' ' C' ' 20' ' ' LYS . 40.7 tt0 -51.93 -46.23 64.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.212 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.48 -42.8 82.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.054 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.1 t80 -65.08 -49.35 70.38 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.37 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.78 -38.05 74.79 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' C' ' 20' ' ' LYS . 1.2 mt -67.98 -43.64 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.382 0.611 . . . . 0.0 109.71 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.802 HD13 HG21 ' B' ' 9' ' ' VAL . 7.5 mt -75.45 -29.34 59.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.6 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.489 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.96 -42.65 60.18 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.411 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.577 ' HG2' HD13 ' C' ' 17' ' ' ILE . 2.4 tttp -63.98 -31.93 73.29 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.607 ' HG ' HD21 ' D' ' 21' ' ' LEU . 0.2 OUTLIER -72.06 -41.92 66.83 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.549 -1.659 . . . . 0.0 110.068 -178.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.583 ' NZ ' ' HG3' ' D' ' 43' ' ' GLN . 8.8 tttm -57.38 -38.97 75.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.8 -46.5 71.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.355 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.499 ' C ' ' HB2' ' D' ' 24' ' ' SER . 97.3 p -60.11 -45.19 93.82 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 21' ' ' LEU . 16.7 mt -66.99 -46.12 75.54 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.735 0.302 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 41.2 mt-10 -70.78 -35.61 72.65 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.823 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' D' ' 36' ' ' VAL . 25.5 mt -72.08 -23.64 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.032 0.444 . . . . 0.0 110.697 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.1 ttm -65.45 -12.21 50.28 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.903 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 3.7 pt-20 -90.34 -20.53 22.76 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.607 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.965 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -97.31 4.34 50.87 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.285 0.564 . . . . 0.0 110.961 -177.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.963 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -100.2 123.47 46.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.208 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -40.48 125.09 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.367 2.045 . . . . 0.0 111.799 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -53.1 -46.63 97.61 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 31.8 Cg_exo -58.15 -28.77 85.09 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.539 1.493 . . . . 0.0 112.012 -179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 61.1 tp -78.69 -31.31 46.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.168 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.547 HG13 HD11 ' D' ' 27' ' ' LEU . 40.4 t -69.45 -43.32 80.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.82 -41.84 83.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.47 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.54 -43.51 93.49 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.165 0.507 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.72 -45.96 92.23 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.786 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.36 -38.38 68.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.783 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.14 -49.34 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 7.5 tt0 -59.64 -25.47 64.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.281 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.6 ' HG3' ' HZ1' ' D' ' 22' ' ' LYS . 0.5 OUTLIER -78.73 -42.17 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -59.85 -22.57 62.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.219 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 2.7 tp -55.18 -50.1 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.024 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.15 -74.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.815 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.73 35.49 24.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 110.246 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.533 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.341 -0.837 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 110.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.435 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 11.6 pt-20 -165.45 13.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.19 -145.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.297 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.43 145.08 49.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.92 0.867 . . . . 0.0 110.394 179.739 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.608 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 55.6 m-85 -127.16 163.16 24.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.859 -177.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.8 m-85 -114.25 128.35 56.32 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.961 -0.695 . . . . 0.0 109.491 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.829 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.2 OUTLIER -113.11 111.11 21.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.857 -177.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.5 tt0 -85.82 113.56 22.07 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.798 HG21 HD13 ' C' ' 18' ' ' LEU . 49.8 t -123.39 127.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.613 -177.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.687 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.7 tmt_? -96.41 144.7 26.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.45 -177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 84.54 125.83 1.37 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.987 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.38 -49.62 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -51.95 -46.19 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.219 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.44 -42.75 82.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.83 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.1 t80 -65.17 -49.3 70.37 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.361 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.83 -38.0 74.84 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.577 HD13 ' HG2' ' B' ' 20' ' ' LYS . 1.2 mt -68.05 -43.68 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.344 0.593 . . . . 0.0 109.647 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.798 HD13 HG21 ' C' ' 9' ' ' VAL . 7.5 mt -75.41 -29.33 59.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.613 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.509 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -73.98 -42.67 60.09 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.574 ' HG2' HD13 ' B' ' 17' ' ' ILE . 2.4 tttp -64.0 -31.83 73.15 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.605 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.2 -41.86 66.48 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 113.577 -1.647 . . . . 0.0 110.001 -178.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.68 ' HZ1' ' HG3' ' A' ' 43' ' ' GLN . 8.8 tttm -57.39 -38.95 75.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.78 -46.61 71.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.334 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.506 ' C ' ' HB2' ' A' ' 24' ' ' SER . 97.4 p -60.11 -45.14 93.99 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.473 HD12 HD22 ' C' ' 21' ' ' LEU . 16.5 mt -67.0 -46.26 75.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.708 0.289 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 41.2 mt-10 -70.67 -35.58 72.91 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.85 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 36' ' ' VAL . 25.7 mt -72.13 -23.56 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.042 0.448 . . . . 0.0 110.754 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.429 ' HE2' HD12 ' A' ' 27' ' ' LEU . 19.9 ttm -65.47 -12.24 50.69 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.907 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.58 22.68 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.949 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -97.22 4.25 51.11 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-O 121.311 0.577 . . . . 0.0 110.985 -177.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.949 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -100.15 123.42 46.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.22 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.36 125.03 1.82 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.316 2.01 . . . . 0.0 111.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -53.05 -46.65 97.55 Favored Pre-proline 0 CA--C 1.532 0.264 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 31.6 Cg_exo -58.11 -28.7 84.65 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.445 1.43 . . . . 0.0 112.114 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.578 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 61.2 tp -78.77 -31.19 46.0 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.206 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.545 HG13 HD11 ' A' ' 27' ' ' LEU . 40.2 t -69.51 -43.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.79 -41.9 83.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.434 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -59.55 -43.55 93.5 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.62 -45.99 91.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.803 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.46 -38.28 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.24 -49.2 78.74 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 7.5 tt0 -59.66 -25.49 64.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.305 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.724 ' HG3' ' HZ1' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -78.8 -42.15 28.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.467 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.8 -22.54 62.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.223 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 2.8 tp -55.18 -50.14 70.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.072 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.13 -74.54 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.819 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.71 35.47 24.41 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.074 0.464 . . . . 0.0 110.258 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.434 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 11.6 pt-20 -165.5 13.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.23 -145.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.53 145.03 49.38 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 110.446 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.616 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 55.5 m-85 -127.08 163.24 24.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.024 -1.444 . . . . 0.0 110.859 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.522 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.7 m-85 -114.32 128.29 56.28 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 119.969 -0.692 . . . . 0.0 109.477 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.83 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.2 OUTLIER -113.04 111.06 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.889 -177.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.608 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.5 tt0 -85.81 113.56 22.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.8 HG21 HD13 ' D' ' 18' ' ' LEU . 49.7 t -123.38 127.38 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.628 -177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.7 tmt_? -96.5 144.66 26.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.468 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 84.55 125.71 1.35 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.022 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -54.25 -49.6 69.12 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.42 ' OE1' ' HE2' ' A' ' 20' ' ' LYS . 40.7 tt0 -51.95 -46.16 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -67.51 -42.81 82.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.063 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.829 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.1 t80 -65.16 -49.28 70.45 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.358 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.75 -38.0 74.6 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.574 HD13 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -68.03 -43.6 85.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.8 HD13 HG21 ' D' ' 9' ' ' VAL . 7.5 mt -75.48 -29.32 59.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.585 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.497 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -73.97 -42.72 60.06 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.576 ' HG2' HD13 ' A' ' 17' ' ' ILE . 2.4 tttp -63.93 -31.89 73.23 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.607 HD21 ' HG ' ' B' ' 21' ' ' LEU . 0.2 OUTLIER -72.15 -41.94 66.52 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.545 -1.661 . . . . 0.0 110.022 -178.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.6 ' HZ1' ' HG3' ' B' ' 43' ' ' GLN . 8.8 tttm -57.32 -39.0 74.91 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.76 -46.53 71.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.358 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.499 ' HB2' ' C ' ' B' ' 24' ' ' SER . 97.2 p -60.14 -45.21 93.8 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.453 HD12 HD22 ' D' ' 21' ' ' LEU . 16.7 mt -66.98 -46.14 75.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.743 0.306 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 41.2 mt-10 -70.76 -35.52 72.67 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.858 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.547 HD11 HG13 ' B' ' 36' ' ' VAL . 25.4 mt -72.14 -23.6 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 110.764 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.466 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.0 ttm -65.42 -12.25 50.56 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.896 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 3.7 pt-20 -90.37 -20.5 22.78 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.591 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.963 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -97.29 4.26 50.95 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.29 0.567 . . . . 0.0 110.985 -177.491 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.965 HG21 HD21 ' B' ' 30' ' ' LEU . 2.3 p -100.18 123.44 46.8 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.237 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -40.39 125.0 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.333 2.022 . . . . 0.0 111.86 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -53.02 -46.62 97.54 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 31.8 Cg_exo -58.18 -28.73 85.06 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.557 1.505 . . . . 0.0 111.989 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 61.4 tp -78.75 -31.24 46.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.163 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.538 HG13 HD11 ' B' ' 27' ' ' LEU . 40.4 t -69.46 -43.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.87 -41.85 83.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.456 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.1 t -59.5 -43.46 93.36 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.131 0.491 . . . . 0.0 110.372 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -60.76 -45.88 92.62 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.833 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -55.47 -38.4 69.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.777 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.15 -49.28 78.46 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . 0.427 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 7.5 tt0 -59.62 -25.48 64.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.302 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.583 ' HG3' ' NZ ' ' B' ' 22' ' ' LYS . 0.5 OUTLIER -78.83 -42.12 28.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.409 179.335 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -59.86 -22.47 62.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.187 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 2.7 tp -55.33 -50.05 70.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.032 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.12 -74.63 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.769 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 35.52 24.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.069 0.461 . . . . 0.0 110.253 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 40.3 ptt180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.549 0.214 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.05 31.08 0.21 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.828 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -92.09 -146.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.69 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -74.02 142.12 45.77 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.647 0.737 . . . . 0.0 110.305 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 70.8 m-85 -126.71 166.4 17.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.69 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.1 m-85 -115.04 127.56 55.72 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.055 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.74 109.23 18.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.344 -178.268 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.9 116.57 22.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.626 179.285 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.715 HG21 HD13 ' A' ' 18' ' ' LEU . 38.7 t -120.48 126.24 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.393 -178.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.72 135.59 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.957 0.408 . . . . 0.0 110.682 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.63 124.64 3.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.708 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.59 -48.84 68.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.29 -47.25 69.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' HA ' HD13 ' B' ' 25' ' ' LEU . 47.4 m-20 -65.59 -44.16 87.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.706 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.797 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.4 t80 -58.36 -45.2 88.68 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.399 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.21 -46.24 87.94 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -61.71 -44.37 98.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.554 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' B' ' 18' ' ' LEU . 5.1 mt -73.24 -38.39 66.03 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.014 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -61.72 -49.0 78.2 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -58.03 -34.65 70.29 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.34 65.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.577 179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.597 ' HG3' HG22 ' B' ' 9' ' ' VAL . 2.5 tmmt? -53.06 -38.77 62.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.27 85.35 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.815 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.1 m -61.57 -51.94 66.48 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.79 -45.01 96.04 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 26.3 mt-10 -67.64 -42.62 81.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD12 ' HE3' ' C' ' 28' ' ' MET . 28.3 mt -61.95 -33.81 74.97 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.617 ' HE3' HD12 ' C' ' 27' ' ' LEU . 22.4 mtp -54.49 -15.18 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 118.86 -1.136 . . . . 0.0 112.259 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.2 pt-20 -89.52 -19.28 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.218 0.463 . . . . 0.0 111.591 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -93.42 1.25 56.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.225 0.536 . . . . 0.0 110.359 -179.02 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.88 123.62 48.74 Favored Pre-proline 0 N--CA 1.451 -0.422 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.03 177.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -42.07 126.15 3.49 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.106 1.871 . . . . 0.0 111.592 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 36.0 tt0 -49.72 -45.5 79.32 Favored Pre-proline 0 CA--C 1.533 0.327 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 35.4 Cg_exo -58.43 -29.4 88.31 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.019 1.813 . . . . 0.0 112.87 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 27.9 tp -78.58 -33.81 47.33 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.583 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG13 HD11 ' C' ' 27' ' ' LEU . 71.1 t -70.7 -39.8 76.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.51 -44.1 89.37 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.17 93.12 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.885 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.031 0.443 . . . . 0.0 110.14 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -56.02 -33.88 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.794 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.21 -49.48 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.089 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.47 -25.54 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.024 0.44 . . . . 0.0 110.39 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -81.0 -41.4 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.761 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.76 -22.52 66.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.74 -47.72 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.89 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 HD12 HE22 ' D' ' 8' ' ' GLN . 87.1 mt -110.47 -69.18 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.539 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.59 34.37 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 0.0 110.451 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.91 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.563 0.22 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.06 31.04 0.21 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.789 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.12 -146.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.707 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.92 142.09 45.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.334 179.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 70.7 m-85 -126.67 166.33 17.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.722 -177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.409 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.57 55.75 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.743 -0.783 . . . . 0.0 110.071 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.797 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.79 109.2 18.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.342 -178.234 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.85 116.63 22.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.651 179.269 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' B' ' 18' ' ' LEU . 38.7 t -120.59 126.13 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.475 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.69 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.65 135.54 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.002 0.429 . . . . 0.0 110.705 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.64 124.56 3.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.383 -0.913 . . . . 0.0 111.767 -179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.13 -47.34 68.75 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -65.58 -44.1 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.703 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.8 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.35 88.32 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.364 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.25 88.24 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -61.73 -44.34 98.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.505 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.731 HD23 HD23 ' A' ' 18' ' ' LEU . 5.1 mt -73.34 -38.26 65.81 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.058 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.59 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -61.8 -48.98 78.19 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.638 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.31 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.592 179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 9' ' ' VAL . 2.5 tmmt? -53.1 -38.77 62.88 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -44.26 85.3 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.812 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.1 m -61.51 -51.95 66.5 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 14' ' ' ASN . 27.4 mt -60.87 -44.94 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 26.3 mt-10 -67.7 -42.56 81.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 111.827 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.612 HD12 ' HE3' ' D' ' 28' ' ' MET . 28.4 mt -62.0 -33.84 75.07 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' D' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.16 1.56 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 118.807 -1.157 . . . . 0.0 112.299 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.2 pt-20 -89.48 -19.36 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.211 0.46 . . . . 0.0 111.6 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.767 HD21 HG11 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -93.38 1.2 56.99 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.282 0.563 . . . . 0.0 110.389 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.68 48.54 Favored Pre-proline 0 N--CA 1.452 -0.368 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.969 177.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -42.13 126.14 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.064 1.843 . . . . 0.0 111.607 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.445 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 36.0 tt0 -49.63 -45.64 78.84 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.445 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.6 Cg_exo -58.27 -29.51 88.05 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.964 1.776 . . . . 0.0 112.939 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 27.5 tp -78.48 -33.77 48.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.634 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.546 HG13 HD11 ' D' ' 27' ' ' LEU . 70.2 t -70.74 -39.79 76.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -44.03 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.2 t -59.49 -44.28 93.1 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.563 0.22 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -60.76 -44.12 97.12 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.051 0.453 . . . . 0.0 110.214 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -55.95 -33.95 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.825 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.26 -49.36 67.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.099 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.55 -25.49 67.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.09 0.472 . . . . 0.0 110.41 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.4 ' CD ' ' HE1' ' D' ' 19' ' ' MET . 32.3 tt0 -81.15 -41.19 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.783 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.85 -22.53 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.422 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.75 -47.64 76.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.436 HD12 HE22 ' C' ' 8' ' ' GLN . 87.1 mt -110.58 -69.27 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.46 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.73 34.31 24.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.056 0.455 . . . . 0.0 110.452 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.563 0.221 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.05 31.06 0.21 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.788 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.14 -146.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.689 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.95 142.13 45.91 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.332 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 70.6 m-85 -126.69 166.37 17.49 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.677 -177.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.1 m-85 -114.95 127.56 55.76 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.111 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.803 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.73 109.15 18.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.361 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.84 116.62 22.24 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.673 179.258 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.72 HG21 HD13 ' C' ' 18' ' ' LEU . 38.9 t -120.48 126.17 74.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.479 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.69 135.58 38.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.954 0.406 . . . . 0.0 110.658 -178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.61 124.69 3.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.663 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -49.0 68.63 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -53.15 -47.2 68.95 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.409 ' HA ' HD13 ' D' ' 25' ' ' LEU . 47.6 m-20 -65.66 -44.17 87.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.645 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.4 t80 -58.34 -45.37 88.29 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.314 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.1 -46.24 88.29 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -61.73 -44.33 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' D' ' 18' ' ' LEU . 5.1 mt -73.33 -38.34 65.83 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.027 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.583 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.01 78.13 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.691 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.97 -34.69 70.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.641 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.92 -43.38 65.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.513 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.596 ' HG3' HG22 ' D' ' 9' ' ' VAL . 2.6 tmmt? -52.98 -38.81 62.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -65.99 -44.29 85.29 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.811 178.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.1 m -61.54 -51.94 66.51 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.84 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 26.4 mt-10 -67.7 -42.51 81.88 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.617 HD12 ' HE3' ' A' ' 28' ' ' MET . 28.3 mt -61.95 -33.86 75.05 Favored 'General case' 0 C--O 1.222 -0.37 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.596 ' HE3' HD12 ' A' ' 27' ' ' LEU . 22.4 mtp -54.54 -15.14 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 118.809 -1.156 . . . . 0.0 112.261 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.27 25.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.224 0.466 . . . . 0.0 111.543 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.759 HD21 HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -93.47 1.24 56.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.256 0.551 . . . . 0.0 110.33 -178.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.93 123.64 48.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.981 177.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.09 126.17 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.076 1.851 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 36.0 tt0 -49.69 -45.58 79.2 Favored Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.9 Cg_exo -58.39 -29.44 88.29 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.016 1.811 . . . . 0.0 112.887 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.58 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 28.0 tp -78.57 -33.75 47.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.601 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 27' ' ' LEU . 71.3 t -70.64 -39.9 76.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.52 -44.08 89.38 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.53 -44.16 93.26 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -60.77 -44.15 97.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.081 0.467 . . . . 0.0 110.181 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.99 -33.92 65.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -66.2 -49.45 67.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.087 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -61.48 -25.49 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.081 0.467 . . . . 0.0 110.415 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.15 -41.3 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.778 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.78 -22.56 66.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.48 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.66 -47.76 76.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.848 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.429 HD12 HE22 ' B' ' 8' ' ' GLN . 87.2 mt -110.52 -69.2 0.88 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.511 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.7 34.34 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.899 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.592 0.234 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.01 31.11 0.21 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.805 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -92.15 -146.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -74.0 142.08 45.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.662 0.744 . . . . 0.0 110.296 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 70.6 m-85 -126.65 166.35 17.5 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.73 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 4.1 m-85 -114.99 127.51 55.71 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.141 176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.72 109.21 18.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.35 -178.216 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.86 116.62 22.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 119.477 -0.889 . . . . 0.0 110.653 179.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.721 HG21 HD13 ' D' ' 18' ' ' LEU . 39.0 t -120.52 126.13 74.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.481 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.66 135.53 38.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.019 0.438 . . . . 0.0 110.717 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.478 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.64 124.69 3.88 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.68 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -53.56 -48.89 68.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -53.26 -47.28 69.24 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -65.56 -44.12 87.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.803 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.4 t80 -58.38 -45.32 88.51 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.349 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.16 -46.22 88.21 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -61.71 -44.31 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.554 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.734 HD23 HD23 ' C' ' 18' ' ' LEU . 5.1 mt -73.39 -38.27 65.69 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.591 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -61.73 -49.04 78.04 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -57.96 -34.68 70.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.639 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.95 -43.31 65.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.581 179.724 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' C' ' 9' ' ' VAL . 2.5 tmmt? -53.05 -38.73 62.69 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.0 OUTLIER -66.08 -44.17 85.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.834 178.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.587 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.1 m -61.58 -52.0 66.23 Favored 'General case' 0 N--CA 1.462 0.148 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' C' ' 14' ' ' ASN . 27.5 mt -60.73 -45.04 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 26.4 mt-10 -67.73 -42.47 81.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' B' ' 28' ' ' MET . 28.1 mt -62.02 -33.76 74.95 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.612 ' HE3' HD12 ' B' ' 27' ' ' LEU . 22.4 mtp -54.52 -15.2 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 118.827 -1.149 . . . . 0.0 112.296 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.2 pt-20 -89.54 -19.21 25.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 118.172 0.442 . . . . 0.0 111.632 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.766 HD21 HG11 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -93.48 1.21 56.87 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.273 0.559 . . . . 0.0 110.351 -179.045 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.93 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.89 123.62 48.71 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.976 177.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.09 126.16 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.031 1.82 . . . . 0.0 111.65 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 36.0 tt0 -49.64 -45.62 78.88 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 36.0 Cg_exo -58.38 -29.38 88.06 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.971 1.78 . . . . 0.0 112.92 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 27.7 tp -78.58 -33.77 47.39 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.62 -179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.536 HG13 HD11 ' B' ' 27' ' ' LEU . 70.9 t -70.69 -39.87 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.46 -44.06 89.12 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -59.49 -44.2 93.13 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -60.87 -44.08 97.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 110.184 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.98 -33.93 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.754 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.22 -49.44 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.115 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.45 -25.54 67.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.096 0.474 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.4 ' CD ' ' HE1' ' B' ' 19' ' ' MET . 32.3 tt0 -81.1 -41.35 22.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.733 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.74 -22.54 66.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.72 -47.73 76.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.438 HD12 HE22 ' A' ' 8' ' ' GLN . 87.1 mt -110.56 -69.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.467 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.61 34.32 24.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.043 0.449 . . . . 0.0 110.48 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.846 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.57 15.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.66 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.09 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.17 142.64 47.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.65 0.738 . . . . 0.0 110.668 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.66 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.8 m-85 -126.39 165.54 18.86 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.676 -177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.461 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.1 m-85 -114.57 126.35 54.81 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.785 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.878 HD12 ' HZ3' ' B' ' 22' ' ' LYS . 0.8 OUTLIER -111.85 109.36 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.426 -178.107 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.5 OUTLIER -82.36 110.03 17.15 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 119.626 -0.829 . . . . 0.0 111.101 179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' A' ' 18' ' ' LEU . 42.2 t -114.8 124.81 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.378 -177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.16 37.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 93.3 124.66 3.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.327 -0.94 . . . . 0.0 111.782 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -53.75 -48.86 69.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.1 -47.32 68.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' OD1' HD22 ' B' ' 25' ' ' LEU . 43.5 m-20 -65.97 -43.88 86.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.633 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.81 ' CE1' HD13 ' B' ' 7' ' ' LEU . 12.1 t80 -57.91 -46.0 85.65 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.295 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.87 -46.6 87.1 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -62.04 -42.59 95.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.554 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.687 HD13 HG21 ' A' ' 9' ' ' VAL . 5.7 mt -75.07 -34.11 61.77 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.464 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -67.02 -48.92 66.91 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.67 -38.04 77.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.5 OUTLIER -68.59 -42.78 77.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.161 179.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.883 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 14.9 ttpt -50.45 -41.32 52.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.94 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.46 -44.31 78.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.585 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.484 ' C ' ' HB2' ' C' ' 24' ' ' SER . 97.7 p -60.95 -46.45 90.66 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.69 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.78 -46.21 83.05 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.693 0.282 . . . . 0.0 111.46 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.2 mt-10 -67.26 -42.7 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.266 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.0 mt -66.01 -32.21 73.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.011 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.7 ttm -55.46 -13.5 1.52 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.453 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt-20 -90.4 -22.55 21.4 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.133 -0.354 . . . . 0.0 111.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.912 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -90.58 2.71 55.56 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 111.199 -178.005 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.914 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.58 123.69 47.08 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.371 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.56 127.75 2.42 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.575 2.183 . . . . 0.0 112.249 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 23.7 tp60 -51.04 -45.7 88.29 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.403 -179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 45.5 Cg_exo -57.44 -32.38 93.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.038 1.825 . . . . 0.0 112.924 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 43.1 tp -76.72 -32.77 58.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.343 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.425 HG13 HD11 ' C' ' 27' ' ' LEU . 55.8 t -71.04 -39.92 75.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.3 -43.31 88.04 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.54 -43.85 93.39 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.837 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.91 -46.7 88.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 96.7 mtt180 -55.75 -34.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.825 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.4 -49.93 50.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.054 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.15 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.62 HE22 ' HB3' ' D' ' 8' ' ' GLN . 58.3 tp60 -87.15 -31.21 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.638 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 31.8 tp60 -64.59 -22.85 67.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.928 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -49.94 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.23 98.79 4.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.565 HE22 ' HG3' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -89.59 33.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.44 15.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.61 -143.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.093 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.19 142.65 47.37 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.64 0.733 . . . . 0.0 110.701 179.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.9 m-85 -126.35 165.58 18.76 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.757 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.466 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.1 m-85 -114.61 126.33 54.78 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.774 176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.883 HD12 ' HZ3' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -111.89 109.4 19.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.365 -178.104 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -82.33 109.94 17.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.103 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' B' ' 18' ' ' LEU . 42.2 t -114.73 124.82 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.356 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.701 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.42 136.17 37.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.688 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 93.26 124.55 3.73 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.798 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 12' ' ' ARG . 4.3 tpt180 -53.68 -48.81 69.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.18 -47.29 68.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -65.96 -43.95 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' A' ' 7' ' ' LEU . 12.1 t80 -57.86 -46.02 85.44 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.279 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.86 -46.57 87.26 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -62.15 -42.45 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.706 HD13 HG21 ' B' ' 9' ' ' VAL . 5.7 mt -75.2 -34.05 61.47 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.426 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -67.06 -48.89 66.88 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.74 -38.06 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.653 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.5 OUTLIER -68.51 -42.8 78.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.878 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 14.9 ttpt -50.4 -41.33 51.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.993 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.49 -44.3 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.615 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.483 ' C ' ' HB2' ' D' ' 24' ' ' SER . 96.3 p -60.93 -46.5 90.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.644 -0.423 . . . . 0.0 111.653 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.401 HD22 ' OD1' ' A' ' 14' ' ' ASN . 13.8 mt -64.78 -46.23 82.99 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.664 0.269 . . . . 0.0 111.437 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.3 mt-10 -67.22 -42.78 83.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.264 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.96 -32.24 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.019 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.411 ' HE2' HD12 ' D' ' 27' ' ' LEU . 20.6 ttm -55.47 -13.44 1.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.15 -1.02 . . . . 0.0 111.424 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.6 pt-20 -90.48 -22.47 21.36 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 122.111 -0.368 . . . . 0.0 111.943 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.931 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -90.54 2.69 55.53 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.039 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.939 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.62 123.75 46.78 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.35 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.69 127.79 2.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.5 2.133 . . . . 0.0 112.298 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.64 88.59 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.402 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 45.3 Cg_exo -57.38 -32.44 93.95 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.056 1.838 . . . . 0.0 112.927 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 43.0 tp -76.68 -32.86 58.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.303 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.42 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.99 -39.92 75.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.23 -43.34 87.7 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.56 -43.84 93.44 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.842 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.92 -46.69 88.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 96.7 mtt180 -55.8 -33.99 64.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.809 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.45 -49.96 50.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.017 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.18 -29.12 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.618 HE22 ' HB3' ' C' ' 8' ' ' GLN . 58.3 tp60 -87.22 -31.18 20.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.609 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 31.7 tp60 -64.53 -22.96 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.952 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.6 -49.91 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.54 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 32.6 tp -132.23 98.67 4.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.558 HE22 ' HG3' ' B' ' 43' ' ' GLN . 0.7 OUTLIER -89.45 33.29 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.469 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.56 15.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.59 -143.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.064 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.698 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.75 47.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.603 0.716 . . . . 0.0 110.701 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.9 m-85 -126.4 165.6 18.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.704 -177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.1 m-85 -114.66 126.36 54.8 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.78 -0.768 . . . . 0.0 109.767 176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.849 HD12 ' HZ3' ' D' ' 22' ' ' LYS . 0.8 OUTLIER -111.86 109.45 19.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.363 -178.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.43 110.0 17.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.095 179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.689 HG21 HD13 ' C' ' 18' ' ' LEU . 42.1 t -114.79 124.81 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.335 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.44 136.21 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.011 0.434 . . . . 0.0 110.731 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 93.22 124.54 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.287 -0.958 . . . . 0.0 111.811 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.58 -48.98 68.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.09 -47.31 68.64 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.411 ' OD1' HD22 ' D' ' 25' ' ' LEU . 43.1 m-20 -65.98 -43.98 86.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.85 0.357 . . . . 0.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.813 ' CE1' HD13 ' D' ' 7' ' ' LEU . 12.1 t80 -57.73 -46.11 84.88 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.344 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.8 -46.62 87.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.43 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -62.1 -42.47 95.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.563 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.689 HD13 HG21 ' C' ' 9' ' ' VAL . 5.7 mt -75.11 -34.15 61.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.481 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.95 -48.93 67.06 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.71 -38.16 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.67 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.44 -42.84 78.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.215 179.613 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.875 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 14.9 ttpt -50.42 -41.39 52.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.37 -44.28 79.35 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.484 ' HB2' ' C ' ' A' ' 24' ' ' SER . 97.4 p -60.95 -46.49 90.49 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.682 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.404 HD22 ' OD1' ' D' ' 14' ' ' ASN . 13.8 mt -64.8 -46.23 82.89 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.697 0.284 . . . . 0.0 111.431 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.3 mt-10 -67.17 -42.81 83.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.286 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 27.8 mt -65.94 -32.25 73.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.982 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' C' ' 28' ' ' MET . 20.8 ttm -55.46 -13.47 1.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.229 -0.988 . . . . 0.0 111.417 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.6 pt-20 -90.49 -22.41 21.37 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.062 -0.399 . . . . 0.0 111.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.914 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -90.52 2.57 55.62 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.226 -178.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.912 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.6 123.8 46.65 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.33 178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -40.66 127.81 2.49 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.534 2.156 . . . . 0.0 112.266 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.454 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 23.8 tp60 -51.09 -45.7 88.56 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.41 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.1 Cg_exo -57.32 -32.54 94.09 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.019 1.812 . . . . 0.0 112.941 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 43.4 tp -76.54 -32.88 58.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.368 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 27' ' ' LEU . 55.7 t -70.93 -39.9 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.29 -43.36 88.02 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.55 -43.94 93.39 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.754 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -61.88 -46.69 88.29 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 96.7 mtt180 -55.72 -34.04 64.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.823 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.38 -49.97 50.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.06 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.12 68.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.613 HE22 ' HB3' ' B' ' 8' ' ' GLN . 58.4 tp60 -87.23 -31.16 20.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.618 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 31.7 tp60 -64.62 -22.82 67.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.905 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -49.94 71.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.525 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -132.28 98.76 4.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.562 HE22 ' HG3' ' C' ' 43' ' ' GLN . 0.7 OUTLIER -89.6 33.38 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 68.1 mtp180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -167.51 15.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.56 -143.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.114 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.18 142.65 47.38 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.644 0.735 . . . . 0.0 110.72 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.7 m-85 -126.32 165.58 18.73 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.704 -177.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.466 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.1 m-85 -114.63 126.29 54.72 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.875 -0.73 . . . . 0.0 109.818 176.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.875 HD12 ' HZ3' ' C' ' 22' ' ' LYS . 0.8 OUTLIER -111.84 109.43 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.414 -178.083 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.5 OUTLIER -82.38 110.02 17.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.624 -0.83 . . . . 0.0 111.12 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' D' ' 18' ' ' LEU . 42.3 t -114.76 124.85 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.347 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.698 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.49 136.21 37.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.985 0.421 . . . . 0.0 110.721 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.482 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 93.21 124.61 3.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.312 -0.946 . . . . 0.0 111.832 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.67 -48.93 69.0 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -53.08 -47.33 68.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.404 ' OD1' HD22 ' C' ' 25' ' ' LEU . 43.6 m-20 -65.92 -44.02 86.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.574 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.809 ' CE1' HD13 ' C' ' 7' ' ' LEU . 12.1 t80 -57.8 -46.02 85.23 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.286 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.89 -46.55 87.3 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.432 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.13 -42.52 95.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.502 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.705 HD13 HG21 ' D' ' 9' ' ' VAL . 5.7 mt -75.09 -34.16 61.72 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.461 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.562 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.96 -48.91 67.08 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -58.75 -38.02 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.653 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.5 OUTLIER -68.56 -42.78 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.207 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.849 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 14.9 ttpt -50.4 -41.37 52.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.968 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -67.42 -44.31 79.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.628 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.483 ' HB2' ' C ' ' B' ' 24' ' ' SER . 96.9 p -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.641 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.411 HD22 ' OD1' ' C' ' 14' ' ' ASN . 13.8 mt -64.79 -46.23 82.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.724 0.297 . . . . 0.0 111.445 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.3 mt-10 -67.16 -42.88 83.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.253 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.94 -32.22 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.005 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.413 ' HE2' HD12 ' B' ' 27' ' ' LEU . 20.5 ttm -55.45 -13.49 1.5 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.454 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.7 pt-20 -90.41 -22.56 21.38 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.14 -0.35 . . . . 0.0 111.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.939 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -90.47 2.68 55.47 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.084 0.468 . . . . 0.0 111.22 -178.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.931 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -99.59 123.71 47.0 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.365 178.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -40.62 127.77 2.46 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.503 2.136 . . . . 0.0 112.285 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 23.8 tp60 -51.1 -45.67 88.59 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.435 -179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 45.2 Cg_exo -57.37 -32.35 93.65 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.025 1.816 . . . . 0.0 112.982 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 43.4 tp -76.72 -32.91 58.12 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.242 -179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' B' ' 27' ' ' LEU . 55.7 t -70.88 -39.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.25 -43.36 87.83 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 40.2 t -59.58 -43.9 93.5 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.766 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -61.89 -46.7 88.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 96.7 mtt180 -55.76 -34.08 64.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.37 -49.89 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.057 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.19 -29.14 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.598 HE22 ' HB3' ' A' ' 8' ' ' GLN . 58.4 tp60 -87.22 -31.17 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.605 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 31.7 tp60 -64.59 -22.87 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.927 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -49.92 71.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.515 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 32.7 tp -132.21 98.69 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.553 HE22 ' HG3' ' D' ' 43' ' ' GLN . 0.7 OUTLIER -89.57 33.37 0.84 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.809 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.461 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 68.3 mtp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.969 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.3 pt-20 -170.34 16.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.74 -145.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.699 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -73.01 144.44 47.19 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.793 0.806 . . . . 0.0 110.371 179.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 63.1 m-85 -127.34 163.17 24.58 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.68 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.482 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 5.0 m-85 -114.55 128.49 56.36 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.731 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.862 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -112.66 110.99 21.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.475 -178.223 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -86.78 113.31 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 18' ' ' LEU . 44.4 t -120.98 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.763 -176.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.2 tmt_? -97.2 139.11 33.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 89.76 126.58 3.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.371 -0.918 . . . . 0.0 112.086 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -54.37 -50.81 66.63 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.95 -46.01 67.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.072 0.463 . . . . 0.0 111.146 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' A' ' 18' ' ' LEU . 55.0 t-20 -65.09 -45.27 85.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.124 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' B' ' 7' ' ' LEU . 35.8 t80 -66.12 -46.63 76.91 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.937 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.19 73.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' D' ' 20' ' ' LYS . 1.3 mt -68.69 -44.56 82.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.14 0.495 . . . . 0.0 110.274 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' B' ' 18' ' ' LEU . 4.1 mt -75.76 -30.16 59.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.162 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.55 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -74.55 -38.92 62.59 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.334 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' C' ' 25' ' ' LEU . 7.5 tmtm? -69.69 -28.13 65.58 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' C' ' 21' ' ' LEU . 3.4 tp -75.95 -43.19 46.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.049 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.705 ' HZ3' HE21 ' C' ' 47' ' ' GLN . 0.0 OUTLIER -55.49 -39.85 70.96 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.38 -45.56 83.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.836 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.64 ' HA ' ' SD ' ' C' ' 28' ' ' MET . 1.7 m -62.0 -50.4 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 12.1 mt -63.07 -45.69 90.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.403 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG3' HD21 ' B' ' 14' ' ' ASN . 39.0 mt-10 -67.29 -39.74 86.02 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.687 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD11 HG13 ' C' ' 36' ' ' VAL . 26.5 mt -67.57 -18.41 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' C' ' 24' ' ' SER . 0.0 OUTLIER -62.66 -11.58 18.01 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.089 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 8.7 pt-20 -89.89 -17.11 28.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.376 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.016 HD21 HG21 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.12 41.17 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.018 HG21 HD21 ' C' ' 30' ' ' LEU . 2.1 p -99.98 124.01 45.14 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -42.11 124.97 3.12 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.287 1.992 . . . . 0.0 111.901 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.537 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 18.5 mt-30 -51.96 -50.42 78.39 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 18.1 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 30.9 tp -78.65 -31.64 46.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.131 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.567 HG13 HD11 ' C' ' 27' ' ' LEU . 39.4 t -69.17 -42.85 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.88 -40.15 79.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.42 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.69 92.56 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.362 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.94 96.49 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.636 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.67 -43.04 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.873 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.65 -46.39 89.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.004 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.39 -39.39 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' HG2' HE22 ' A' ' 47' ' ' GLN . 28.5 tt0 -80.53 -23.71 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.462 . . . . 0.0 110.285 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.53 -22.57 65.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.575 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -31.41 61.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.722 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD22 HE22 ' D' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.682 HE21 ' HZ3' ' C' ' 22' ' ' LYS . 0.9 OUTLIER 62.97 21.34 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.435 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.408 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.2 pt-20 -170.39 16.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.69 -145.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -73.04 144.41 47.13 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.887 0.851 . . . . 0.0 110.37 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 63.5 m-85 -127.32 163.14 24.62 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.685 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.48 56.35 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.752 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -112.59 110.96 21.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.546 -178.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.26 22.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.703 HG21 HD13 ' B' ' 18' ' ' LEU . 44.5 t -120.95 126.66 75.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.777 -176.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.699 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.2 tmt_? -97.08 139.07 33.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 -177.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.513 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 89.82 126.52 3.07 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.083 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -54.37 -50.73 66.82 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.02 -46.0 68.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.091 0.472 . . . . 0.0 111.157 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' B' ' 18' ' ' LEU . 55.0 t-20 -64.95 -45.36 86.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.105 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.862 ' CE1' HD13 ' A' ' 7' ' ' LEU . 35.7 t80 -66.16 -46.57 76.99 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.923 -179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' C' ' 17' ' ' ILE . 1.3 mt -68.61 -44.63 82.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 110.308 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.998 HD23 HD23 ' A' ' 18' ' ' LEU . 4.2 mt -75.67 -30.22 59.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.168 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.46 -39.05 62.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' D' ' 25' ' ' LEU . 7.4 tmtm? -69.56 -28.19 65.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' D' ' 21' ' ' LEU . 3.4 tp -75.99 -43.11 46.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.078 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.678 ' HZ3' HE21 ' D' ' 47' ' ' GLN . 0.0 OUTLIER -55.46 -39.96 71.02 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.3 -45.61 83.67 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.829 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' D' ' 28' ' ' MET . 1.7 m -61.9 -50.53 71.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.519 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 12.1 mt -63.02 -45.6 91.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.446 -178.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.52 ' HG3' HD21 ' A' ' 14' ' ' ASN . 39.2 mt-10 -67.38 -39.66 85.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.721 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.554 HD11 HG13 ' D' ' 36' ' ' VAL . 26.5 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' D' ' 24' ' ' SER . 0.0 OUTLIER -62.64 -11.57 17.85 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.146 -1.022 . . . . 0.0 111.057 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 8.8 pt-20 -89.96 -17.01 28.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 -1.2 40.89 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' D' ' 30' ' ' LEU . 2.1 p -99.92 124.0 45.31 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -42.13 125.0 3.14 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.281 1.987 . . . . 0.0 111.881 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.47 78.08 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 17.9 Cg_endo -57.91 -27.74 79.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 121.532 1.488 . . . . 0.0 112.15 -178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 31.0 tp -78.65 -31.6 46.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.157 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.555 HG13 HD11 ' D' ' 27' ' ' LEU . 39.4 t -69.2 -42.78 81.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -57.91 -40.05 79.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.38 -43.67 92.86 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.318 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.98 -44.86 96.76 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.668 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -54.76 -42.98 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.821 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.79 -46.31 90.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.966 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.962 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.598 ' HG2' HE22 ' B' ' 47' ' ' GLN . 28.5 tt0 -80.48 -23.73 39.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.285 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -67.46 -22.53 65.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.567 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.4 HD23 HD11 ' B' ' 46' ' ' LEU . 1.0 OUTLIER -55.19 -31.42 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.724 179.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.553 HD22 ' NE2' ' C' ' 8' ' ' GLN . 0.6 OUTLIER -121.81 -67.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.206 -179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.671 HE21 ' HZ3' ' D' ' 22' ' ' LYS . 0.9 OUTLIER 63.12 21.28 12.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.975 0.417 . . . . 0.0 110.387 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.496 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.986 -1.007 . . . . 0.0 111.064 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.3 pt-20 -170.4 16.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.59 -145.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.692 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -73.07 144.34 47.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.873 0.844 . . . . 0.0 110.402 179.471 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.585 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 63.6 m-85 -127.22 163.06 24.72 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.718 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.496 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 5.0 m-85 -114.44 128.46 56.35 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.769 177.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -112.62 111.03 21.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.496 -178.227 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -86.8 113.29 22.5 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.98 -0.688 . . . . 0.0 109.149 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.712 HG21 HD13 ' C' ' 18' ' ' LEU . 44.6 t -120.95 126.76 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.744 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.681 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.09 33.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.5 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 89.74 126.55 3.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.045 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.34 -50.79 66.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.04 -45.9 68.23 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.152 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.569 ' OD1' HD12 ' C' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.46 85.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.069 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.86 ' CE1' HD13 ' D' ' 7' ' ' LEU . 36.0 t80 -66.04 -46.58 77.3 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.32 -38.18 73.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' B' ' 20' ' ' LYS . 1.3 mt -68.67 -44.55 82.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 121.139 0.495 . . . . 0.0 110.287 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' D' ' 18' ' ' LEU . 4.1 mt -75.78 -30.15 59.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.549 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -74.48 -39.01 62.75 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.469 ' HD2' HD21 ' A' ' 25' ' ' LEU . 7.5 tmtm? -69.64 -28.14 65.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.933 HD13 HD13 ' A' ' 21' ' ' LEU . 3.4 tp -75.88 -43.21 46.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.138 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.682 ' HZ3' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -55.42 -39.91 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -65.37 -45.59 83.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 0.0 109.826 178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.642 ' HA ' ' SD ' ' A' ' 28' ' ' MET . 1.7 m -61.91 -50.43 72.21 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.526 ' HB3' ' CG ' ' D' ' 14' ' ' ASN . 12.1 mt -63.12 -45.58 91.33 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.415 -178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' D' ' 14' ' ' ASN . 39.0 mt-10 -67.39 -39.69 85.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.707 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.567 HD11 HG13 ' A' ' 36' ' ' VAL . 26.7 mt -67.59 -18.47 65.0 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.64 ' SD ' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -62.63 -11.58 17.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.031 -178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 8.7 pt-20 -89.96 -17.02 28.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.368 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 -1.13 41.12 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -177.135 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 1.016 HG21 HD21 ' A' ' 30' ' ' LEU . 2.1 p -99.98 124.0 45.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -42.18 124.96 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.317 2.012 . . . . 0.0 111.851 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.539 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 18.4 mt-30 -51.9 -50.5 77.77 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 17.8 Cg_endo -57.9 -27.76 80.01 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 121.481 1.454 . . . . 0.0 112.164 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 31.1 tp -78.62 -31.61 47.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.182 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.563 HG13 HD11 ' A' ' 27' ' ' LEU . 39.6 t -69.15 -42.83 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -57.82 -40.17 79.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.409 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.29 -43.68 92.56 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.355 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.95 -44.95 96.56 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.631 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.6 -42.97 71.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.907 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.82 -46.36 89.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.954 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -59.42 -39.38 83.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.597 ' HG2' HE22 ' C' ' 47' ' ' GLN . 28.5 tt0 -80.6 -23.7 39.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.203 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -67.49 -22.62 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.519 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -31.39 61.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.738 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.564 HD22 HE22 ' B' ' 8' ' ' GLN . 0.6 OUTLIER -121.88 -67.29 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.211 -179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.705 HE21 ' HZ3' ' A' ' 22' ' ' LYS . 0.9 OUTLIER 63.05 21.24 12.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.36 -179.556 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 14.4 ptm180 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.014 -0.993 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.406 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.2 pt-20 -170.43 16.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.67 -145.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -72.94 144.51 47.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.871 0.843 . . . . 0.0 110.379 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.597 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 63.1 m-85 -127.38 163.12 24.72 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.68 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 5.0 m-85 -114.52 128.52 56.38 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.768 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.86 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -112.68 110.98 21.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.505 -178.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.585 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -86.76 113.25 22.44 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.698 HG21 HD13 ' D' ' 18' ' ' LEU . 44.5 t -120.97 126.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.731 -176.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.692 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.2 tmt_? -97.16 139.17 33.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.514 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 89.73 126.47 3.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.043 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.28 -50.76 66.54 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.05 -45.9 68.26 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.048 0.452 . . . . 0.0 111.15 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.57 ' OD1' HD12 ' D' ' 18' ' ' LEU . 54.9 t-20 -65.02 -45.43 85.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.069 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.859 ' CE1' HD13 ' C' ' 7' ' ' LEU . 35.9 t80 -66.06 -46.6 77.17 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.017 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.27 -38.17 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.425 HG12 HG12 ' A' ' 17' ' ' ILE . 1.3 mt -68.64 -44.58 82.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.199 0.523 . . . . 0.0 110.334 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 1.001 HD23 HD23 ' C' ' 18' ' ' LEU . 4.1 mt -75.73 -30.17 59.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.162 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -74.5 -39.01 62.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.473 ' HD2' HD21 ' B' ' 25' ' ' LEU . 7.5 tmtm? -69.63 -28.14 65.67 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.946 HD13 HD13 ' B' ' 21' ' ' LEU . 3.4 tp -75.94 -43.21 45.98 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.079 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.671 ' HZ3' HE21 ' B' ' 47' ' ' GLN . 0.0 OUTLIER -55.44 -39.89 70.84 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -65.32 -45.67 83.36 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.813 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.645 ' HA ' ' SD ' ' B' ' 28' ' ' MET . 1.7 m -61.89 -50.44 72.2 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.517 ' HB3' ' CG ' ' C' ' 14' ' ' ASN . 12.1 mt -63.05 -45.68 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.443 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.51 ' HG3' HD21 ' C' ' 14' ' ' ASN . 39.3 mt-10 -67.32 -39.71 85.88 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.716 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.555 HD11 HG13 ' B' ' 36' ' ' VAL . 26.5 mt -67.57 -18.42 65.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.642 ' SD ' ' HA ' ' B' ' 24' ' ' SER . 0.0 OUTLIER -62.68 -11.55 17.94 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.136 -1.026 . . . . 0.0 111.048 -178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 8.7 pt-20 -89.93 -17.11 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.407 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 1.047 HD21 HG21 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 -1.08 41.36 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.095 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 1.047 HG21 HD21 ' B' ' 30' ' ' LEU . 2.1 p -100.04 124.01 45.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -42.17 124.99 3.17 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.243 1.962 . . . . 0.0 111.908 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.545 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 18.4 mt-30 -51.95 -50.42 78.38 Favored Pre-proline 0 CA--C 1.53 0.187 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 18.0 Cg_endo -57.91 -27.73 79.93 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.54 1.494 . . . . 0.0 112.195 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 31.1 tp -78.69 -31.61 46.67 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.118 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.554 HG13 HD11 ' B' ' 27' ' ' LEU . 39.5 t -69.13 -42.91 81.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.86 -40.15 79.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.38 178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -43.72 92.21 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.378 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.92 -44.92 96.53 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.698 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -54.64 -43.06 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.849 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.76 -46.33 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.003 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -59.42 -39.32 83.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.995 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.596 ' HG2' HE22 ' D' ' 47' ' ' GLN . 28.5 tt0 -80.57 -23.72 39.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.04 0.448 . . . . 0.0 110.256 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -67.57 -22.49 65.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.523 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -31.34 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.555 HD22 HE22 ' A' ' 8' ' ' GLN . 0.6 OUTLIER -121.94 -67.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.211 -179.565 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.678 HE21 ' HZ3' ' B' ' 22' ' ' LYS . 0.9 OUTLIER 62.99 21.33 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.38 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 14.3 ptm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.933 -1.032 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 13.0 pt-20 -168.47 24.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.813 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.0 -140.3 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -73.52 140.9 46.69 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.786 0.803 . . . . 0.0 110.531 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.643 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 64.1 m-85 -126.8 166.55 17.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.489 -177.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.4 m-85 -115.15 127.37 55.52 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.929 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -112.52 109.2 18.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.375 -178.191 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.648 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.4 OUTLIER -82.59 116.63 22.08 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 119.53 -0.868 . . . . 0.0 110.672 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' A' ' 18' ' ' LEU . 39.9 t -121.77 126.12 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.351 -178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.715 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.1 tmt_? -96.8 138.85 33.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.54 124.53 2.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.647 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.34 -48.41 68.53 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.94 69.2 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' B' ' 25' ' ' LEU . 47.0 m-20 -65.1 -44.61 88.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.904 0.383 . . . . 0.0 110.797 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.1 t80 -58.1 -45.19 87.63 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.591 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.42 -46.01 88.33 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' D' ' 17' ' ' ILE . 1.0 OUTLIER -61.3 -44.12 97.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.501 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' A' ' 9' ' ' VAL . 5.8 mt -73.3 -39.0 65.66 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.151 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -61.21 -48.98 79.02 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.23 -34.78 70.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' HB3' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.58 -43.66 65.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.579 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' B' ' 9' ' ' VAL . 0.0 OUTLIER -53.44 -42.74 67.44 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.169 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' C' ' 28' ' ' MET . 1.2 tt0 -60.32 -44.21 95.67 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.645 178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.562 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.3 m -61.8 -51.86 66.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' CG ' ' B' ' 14' ' ' ASN . 33.0 mt -61.06 -45.49 94.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 45.3 mm-40 -66.95 -43.09 84.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.829 0.347 . . . . 0.0 111.68 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.599 HD12 ' HE3' ' C' ' 28' ' ' MET . 19.7 mt -61.72 -33.3 73.79 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.611 ' HE3' HD12 ' C' ' 27' ' ' LEU . 21.3 mtp -55.03 -14.44 1.53 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.977 -1.089 . . . . 0.0 112.446 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 7.6 pt-20 -90.03 -18.27 26.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 118.355 0.525 . . . . 0.0 111.758 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -94.55 -1.11 53.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.117 0.485 . . . . 0.0 110.819 -178.349 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' C' ' 30' ' ' LEU . 2.5 p -99.49 123.66 47.36 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -40.24 126.88 2.08 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.426 2.084 . . . . 0.0 112.342 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.69 85.87 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.368 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 34.4 Cg_exo -58.12 -30.09 89.28 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 121.992 1.795 . . . . 0.0 112.688 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 25.4 tp -77.59 -33.25 53.93 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.504 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' C' ' 27' ' ' LEU . 53.7 t -70.62 -39.69 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.46 -44.05 89.11 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.7 m -59.79 -44.22 94.05 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.25 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.947 0.403 . . . . 0.0 110.429 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.65 64.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.855 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.52 -47.14 67.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.259 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.9 -33.86 72.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.503 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.76 -29.31 29.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.431 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.881 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.444 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.6 tp -134.85 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.641 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.31 44.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 13.0 pt-20 -168.45 24.47 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.796 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.96 -140.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.972 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.715 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -73.6 140.92 46.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.768 0.794 . . . . 0.0 110.518 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 64.3 m-85 -126.75 166.61 17.08 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.5 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.5 m-85 -115.16 127.41 55.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.746 -0.781 . . . . 0.0 109.976 176.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -112.57 109.22 18.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.32 -178.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.4 OUTLIER -82.6 116.74 22.14 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.506 -0.877 . . . . 0.0 110.656 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.742 HG21 HD13 ' B' ' 18' ' ' LEU . 39.5 t -121.86 126.1 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.327 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.1 tmt_? -96.81 138.81 33.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.978 0.418 . . . . 0.0 110.795 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.63 124.47 2.89 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.617 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.44 -48.34 68.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.44 -47.82 69.33 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.423 ' CG ' ' HB3' ' A' ' 25' ' ' LEU . 47.0 m-20 -65.18 -44.57 88.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.917 0.389 . . . . 0.0 110.806 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.2 t80 -58.17 -45.2 87.91 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.566 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.37 -46.06 88.24 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' C' ' 17' ' ' ILE . 1.0 OUTLIER -61.24 -44.18 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.742 HD13 HG21 ' B' ' 9' ' ' VAL . 5.8 mt -73.27 -39.05 65.69 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.132 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.599 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -61.23 -48.89 79.39 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.25 -34.85 70.92 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.622 ' HB3' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -71.44 -43.72 66.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.596 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.518 ' CG ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -53.41 -42.84 67.42 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' D' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.661 178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' B' ' 28' ' ' MET . 1.3 m -61.81 -51.84 66.62 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . 32.9 mt -61.04 -45.51 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 45.4 mm-40 -66.95 -43.1 84.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.677 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.594 HD12 ' HE3' ' D' ' 28' ' ' MET . 19.7 mt -61.71 -33.32 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.592 ' HE3' HD12 ' D' ' 27' ' ' LEU . 21.4 mtp -55.0 -14.46 1.51 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.432 -178.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 7.6 pt-20 -90.04 -18.31 26.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 118.349 0.522 . . . . 0.0 111.694 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.905 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -94.44 -1.2 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 -178.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.901 HG21 HD21 ' D' ' 30' ' ' LEU . 2.5 p -99.51 123.7 47.19 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -40.24 126.85 2.08 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.424 2.083 . . . . 0.0 112.352 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 9.7 tt0 -50.67 -45.68 85.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.352 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 34.4 Cg_exo -58.08 -30.05 89.01 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.994 1.796 . . . . 0.0 112.753 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.56 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 25.3 tp -77.66 -33.18 53.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.526 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.517 HG13 HD11 ' D' ' 27' ' ' LEU . 53.8 t -70.72 -39.61 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.45 -44.11 89.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.3 m -59.76 -44.16 93.97 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.991 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.97 -45.53 94.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.913 0.387 . . . . 0.0 110.449 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 94.6 mtt180 -55.69 -33.6 64.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.58 -47.14 67.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.236 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.89 -33.87 72.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.536 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.75 -29.32 29.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.93 67.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.57 -50.0 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.405 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.8 tp -134.85 96.33 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.723 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.13 44.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.583 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 98.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 13.0 pt-20 -168.38 24.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.06 -140.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.974 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -73.51 140.88 46.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.792 0.806 . . . . 0.0 110.542 179.491 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 64.3 m-85 -126.79 166.6 17.13 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.449 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 4.5 m-85 -115.15 127.44 55.56 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.937 176.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.821 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.4 OUTLIER -112.64 109.21 18.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.33 -178.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.4 OUTLIER -82.56 116.67 22.08 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.667 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.731 HG21 HD13 ' C' ' 18' ' ' LEU . 39.6 t -121.83 126.04 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.366 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.721 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.1 tmt_? -96.72 138.88 33.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.547 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.54 124.44 2.86 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.18 -1.009 . . . . 0.0 111.654 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.33 -48.35 68.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.41 -47.93 69.15 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' D' ' 25' ' ' LEU . 47.1 m-20 -65.1 -44.55 88.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.2 t80 -58.15 -45.21 87.82 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.46 -45.98 88.34 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.427 HG12 HG12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -61.28 -44.17 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.558 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.731 HD13 HG21 ' C' ' 9' ' ' VAL . 5.8 mt -73.2 -39.01 65.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.139 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.596 ' HG2' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -61.27 -48.92 79.17 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.31 -34.72 70.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.602 ' HB3' HD21 ' D' ' 18' ' ' LEU . 0.2 OUTLIER -71.57 -43.65 65.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.565 179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 0.0 OUTLIER -53.48 -42.71 67.55 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 1.2 tt0 -60.24 -44.25 95.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.719 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' C' ' 28' ' ' MET . 1.3 m -61.82 -51.91 66.33 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.405 HD12 HD11 ' D' ' 18' ' ' LEU . 32.8 mt -61.02 -45.46 94.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 45.5 mm-40 -66.98 -43.08 83.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 111.711 -179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' ' 28' ' ' MET . 19.8 mt -61.67 -33.36 73.84 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.599 ' HE3' HD12 ' A' ' 27' ' ' LEU . 21.4 mtp -54.93 -14.51 1.49 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.471 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 7.6 pt-20 -90.02 -18.28 26.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 118.345 0.52 . . . . 0.0 111.739 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -94.54 -1.07 54.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.076 0.465 . . . . 0.0 110.844 -178.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.5 p -99.47 123.69 47.31 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -40.35 126.86 2.15 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.434 2.089 . . . . 0.0 112.319 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.451 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 9.7 tt0 -50.62 -45.77 85.56 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.315 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 34.1 Cg_exo -58.09 -30.06 89.1 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.937 1.758 . . . . 0.0 112.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 25.2 tp -77.55 -33.28 54.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.51 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 27' ' ' LEU . 53.9 t -70.66 -39.61 76.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.44 -44.07 89.01 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 55.2 m -59.8 -44.12 94.13 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.987 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.99 -45.57 94.26 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.892 0.377 . . . . 0.0 110.456 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 94.6 mtt180 -55.65 -33.67 64.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.5 -47.16 67.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.247 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.87 -33.83 72.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -82.79 -29.29 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.463 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' C' ' 40' ' ' ARG . 6.5 tp-100 -63.86 -24.96 67.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.87 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -50.04 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.418 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.79 96.42 3.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.758 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.14 44.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 13.0 pt-20 -168.49 24.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.781 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.03 -140.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.938 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.721 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -73.47 140.88 46.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.793 0.806 . . . . 0.0 110.553 179.476 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 64.4 m-85 -126.7 166.56 17.13 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.529 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -115.13 127.44 55.58 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.985 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.4 OUTLIER -112.59 109.11 18.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.406 -178.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.4 OUTLIER -82.53 116.67 22.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.665 179.324 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.747 HG21 HD13 ' D' ' 18' ' ' LEU . 39.6 t -121.79 126.13 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.352 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.714 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.1 tmt_? -96.83 138.9 33.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.014 0.435 . . . . 0.0 110.76 -178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.543 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.6 124.51 2.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.161 -1.018 . . . . 0.0 111.64 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -53.48 -48.37 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.37 -47.89 69.05 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' C' ' 25' ' ' LEU . 46.9 m-20 -65.11 -44.54 88.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.799 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.821 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.3 t80 -58.24 -45.18 88.24 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.41 -45.99 88.47 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.426 HG12 HG12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -61.29 -44.23 98.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.531 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.747 HD13 HG21 ' D' ' 9' ' ' VAL . 5.8 mt -73.17 -39.04 65.95 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.142 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.587 ' HG2' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -61.26 -48.88 79.41 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.33 -34.7 70.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.605 ' HB3' HD21 ' C' ' 18' ' ' LEU . 0.2 OUTLIER -71.56 -43.68 65.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.628 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.51 ' CG ' HG22 ' C' ' 9' ' ' VAL . 0.0 OUTLIER -53.45 -42.71 67.44 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' B' ' 28' ' ' MET . 1.2 tt0 -60.37 -44.15 95.88 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.679 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.564 ' O ' ' HG3' ' D' ' 28' ' ' MET . 1.3 m -61.88 -51.81 66.65 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.406 HD12 HD11 ' C' ' 18' ' ' LEU . 32.4 mt -61.11 -45.46 94.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 45.5 mm-40 -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 111.698 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.592 HD12 ' HE3' ' B' ' 28' ' ' MET . 19.7 mt -61.74 -33.25 73.71 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.594 ' HE3' HD12 ' B' ' 27' ' ' LEU . 21.2 mtp -55.03 -14.48 1.55 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.961 -1.096 . . . . 0.0 112.409 -178.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 7.6 pt-20 -90.13 -18.17 26.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 118.321 0.509 . . . . 0.0 111.686 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.901 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -94.58 -1.07 53.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.055 0.455 . . . . 0.0 110.817 -178.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.905 HG21 HD21 ' B' ' 30' ' ' LEU . 2.5 p -99.46 123.67 47.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -40.21 126.8 2.05 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.412 2.075 . . . . 0.0 112.388 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 9.7 tt0 -50.65 -45.66 85.75 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.342 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 34.1 Cg_exo -58.07 -30.05 88.99 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.995 1.797 . . . . 0.0 112.772 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.558 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 25.5 tp -77.67 -33.26 53.44 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.496 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.516 HG13 HD11 ' B' ' 27' ' ' LEU . 53.8 t -70.68 -39.63 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.48 -44.02 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 55.0 m -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.018 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -60.95 -45.56 94.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 110.43 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 94.7 mtt180 -55.68 -33.63 64.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.859 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -68.52 -47.07 67.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.28 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.03 -33.78 72.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.49 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -82.77 -29.31 29.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.437 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' D' ' 40' ' ' ARG . 6.5 tp-100 -63.88 -24.98 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.14 0.495 . . . . 0.0 109.87 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.5 -50.08 72.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.394 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 40.0 tp -134.86 96.43 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.71 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.2 44.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.566 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.427 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 98.1 mtt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.817 0.342 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.8 pt-20 -167.18 13.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.94 -144.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.1 143.64 50.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.608 0.718 . . . . 0.0 110.507 179.624 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.607 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 56.0 m-85 -127.22 166.09 18.39 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.839 -177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.07 55.23 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.444 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -110.3 123.83 50.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.412 -178.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.8 OUTLIER -98.86 111.34 23.76 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.125 -1.03 . . . . 0.0 108.836 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 18' ' ' LEU . 20.4 t -117.68 126.65 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.872 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.45 138.92 33.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.689 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.06 123.77 2.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.327 -0.939 . . . . 0.0 111.594 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 12' ' ' ARG . 4.1 tpt180 -53.58 -47.21 70.31 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.33 -47.2 69.51 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -66.42 -44.18 83.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.793 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.4 t80 -59.53 -45.22 92.4 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.504 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -63.24 -47.4 82.6 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -61.07 -43.85 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.296 179.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' B' ' 25' ' ' LEU . 1.1 tp -75.47 -33.4 60.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.911 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.635 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -66.65 -49.83 64.9 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -58.07 -36.45 72.82 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' C' ' 21' ' ' LEU . 10.5 tp -71.41 -36.23 71.26 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.069 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.648 ' HZ3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -58.21 -38.23 76.38 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 42.7 mt-10 -66.82 -44.11 82.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.54 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 p -60.85 -46.19 91.54 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.572 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 HD13 ' B' ' 18' ' ' LEU . 15.8 mt -63.92 -46.17 86.0 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.665 0.269 . . . . 0.0 111.569 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 32.1 mt-10 -67.72 -42.29 82.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.387 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.5 mt -65.65 -33.21 75.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.922 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 ttm -56.13 -13.52 2.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.202 -0.999 . . . . 0.0 111.442 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.3 pt-20 -90.48 -21.65 21.75 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.129 -0.357 . . . . 0.0 111.779 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.946 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.41 54.95 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.069 0.461 . . . . 0.0 111.157 -178.032 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.945 HG21 HD21 ' C' ' 30' ' ' LEU . 2.4 p -99.77 123.74 46.52 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.438 178.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -41.25 128.42 3.14 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.204 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 8.6 tt0 -51.68 -45.53 91.49 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.331 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 53.1 Cg_exo -56.11 -33.14 89.26 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.988 1.792 . . . . 0.0 112.817 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 40.3 tp -76.64 -32.62 58.12 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.287 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.02 -39.61 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.73 88.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.5 t -59.5 -43.77 93.26 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.709 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 9.2 t80 -62.04 -46.49 88.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.85 0.357 . . . . 0.0 110.597 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.4 64.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.91 -45.97 79.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.35 -33.11 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 110.282 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.225 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 44' ' ' GLN . 3.7 tp60 -67.13 -21.44 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.172 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' HG ' HD23 ' A' ' 46' ' ' LEU . 12.6 tp -54.35 -48.81 71.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.775 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD23 ' HG ' ' A' ' 45' ' ' LEU . 2.9 pp -159.62 122.77 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.077 0.465 . . . . 0.0 111.295 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.612 HE22 HD12 ' D' ' 7' ' ' LEU . 28.7 tp60 -99.86 61.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.44 179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.416 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.8 pt-20 -167.21 13.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.02 -143.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.181 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.14 143.54 50.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.583 0.706 . . . . 0.0 110.497 179.667 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.621 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 56.1 m-85 -127.09 166.12 18.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.913 -177.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.643 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 3.6 m-85 -116.35 128.09 55.24 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.43 176.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.793 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -110.33 123.86 50.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.351 -178.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -98.85 111.33 23.75 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.836 -179.173 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.48 HG21 HD22 ' B' ' 18' ' ' LEU . 20.5 t -117.58 126.62 74.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.885 -177.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.5 139.0 33.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.68 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.12 123.73 2.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.606 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.26 70.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.32 -47.11 69.58 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -66.56 -44.1 83.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.725 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.777 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.4 t80 -59.61 -45.25 92.49 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.452 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.18 -47.44 82.61 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.7 OUTLIER -60.99 -43.89 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.324 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 25' ' ' LEU . 1.1 tp -75.42 -33.48 60.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.948 -179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -66.59 -49.95 64.67 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' HD3' ' B' ' 20' ' ' LYS . 7.9 tmtm? -57.89 -36.5 72.48 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' D' ' 21' ' ' LEU . 10.5 tp -71.41 -36.26 71.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 113.889 -1.505 . . . . 0.0 112.071 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.647 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -58.22 -38.24 76.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 42.7 mt-10 -66.72 -44.21 82.2 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.5 178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' D' ' 28' ' ' MET . 46.4 p -60.84 -46.18 91.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.541 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' A' ' 18' ' ' LEU . 16.0 mt -63.9 -46.25 85.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.681 0.277 . . . . 0.0 111.529 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 32.1 mt-10 -67.66 -42.28 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 111.403 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.7 mt -65.64 -33.25 75.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.926 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' D' ' 24' ' ' SER . 10.9 ttm -56.13 -13.48 2.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.472 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.6 21.68 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.119 -0.363 . . . . 0.0 111.746 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.926 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -91.3 3.4 54.96 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.919 HG21 HD21 ' D' ' 30' ' ' LEU . 2.4 p -99.74 123.73 46.63 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.42 178.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.2 128.39 3.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.506 2.137 . . . . 0.0 112.228 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 8.6 tt0 -51.62 -45.54 91.21 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.404 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 53.0 Cg_exo -56.03 -33.13 88.71 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.03 1.82 . . . . 0.0 112.867 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 40.3 tp -76.74 -32.64 57.91 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.24 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.98 -39.61 75.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.27 -43.65 88.05 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -59.61 -43.7 93.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.626 0.251 . . . . 0.0 110.696 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.466 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 9.3 t80 -62.1 -46.43 89.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.889 0.376 . . . . 0.0 110.722 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' B' ' 44' ' ' GLN . 99.6 mtt180 -55.94 -33.4 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.85 -46.0 80.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.16 71.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.234 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.9 -29.7 32.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.195 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' B' ' 44' ' ' GLN . 3.7 tp60 -67.14 -21.43 65.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.127 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' B' ' 46' ' ' LEU . 12.6 tp -54.36 -48.79 71.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.806 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.477 HD23 ' HG ' ' B' ' 45' ' ' LEU . 2.9 pp -159.6 122.68 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.294 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.583 HE22 HD12 ' C' ' 7' ' ' LEU . 28.4 tp60 -99.75 61.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.44 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.96 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.418 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.8 pt-20 -167.2 13.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.92 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.213 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.06 143.54 50.66 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.592 0.711 . . . . 0.0 110.543 179.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.609 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 56.2 m-85 -127.11 166.06 18.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.897 -177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.622 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 3.6 m-85 -116.32 128.03 55.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.679 -0.809 . . . . 0.0 110.416 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.782 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.1 OUTLIER -110.23 123.86 50.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.4 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.8 OUTLIER -98.91 111.27 23.71 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.86 -179.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.465 HG21 HD22 ' C' ' 18' ' ' LEU . 20.5 t -117.59 126.63 74.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -177.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.712 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.49 138.98 33.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.659 -178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 91.05 123.83 2.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.34 -0.933 . . . . 0.0 111.605 -178.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' C' ' 12' ' ' ARG . 4.1 tpt180 -53.64 -47.18 70.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.31 -47.17 69.49 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -66.57 -44.05 83.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.74 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.789 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.4 t80 -59.65 -45.1 93.04 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.533 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -63.3 -47.42 82.36 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.53 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -60.95 -43.85 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.362 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.769 HD13 HD12 ' D' ' 25' ' ' LEU . 1.1 tp -75.51 -33.46 60.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.877 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.632 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -66.57 -49.87 64.98 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 7.9 tmtm? -58.06 -36.43 72.77 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 1.068 HD21 HD21 ' A' ' 21' ' ' LEU . 10.5 tp -71.4 -36.24 71.3 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.861 -1.518 . . . . 0.0 112.011 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.651 ' HZ3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -58.17 -38.22 76.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.454 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.24 81.79 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.445 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 45.2 p -60.76 -46.13 91.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.553 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.768 HD12 HD13 ' D' ' 18' ' ' LEU . 15.9 mt -64.04 -46.16 85.63 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.611 0.243 . . . . 0.0 111.505 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 32.0 mt-10 -67.7 -42.29 82.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.371 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.4 mt -65.66 -33.27 75.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.894 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.402 ' HE2' HD12 ' A' ' 27' ' ' LEU . 10.8 ttm -56.07 -13.54 2.05 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.47 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.3 pt-20 -90.57 -21.56 21.7 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.106 -0.371 . . . . 0.0 111.791 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.945 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -91.31 3.37 55.04 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 111.18 -178.125 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.946 HG21 HD21 ' A' ' 30' ' ' LEU . 2.4 p -99.74 123.8 46.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.379 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_exo -41.3 128.45 3.2 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.449 2.099 . . . . 0.0 112.258 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 8.6 tt0 -51.67 -45.52 91.45 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.408 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 52.8 Cg_exo -56.08 -33.15 89.06 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.995 1.796 . . . . 0.0 112.794 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.587 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 40.4 tp -76.68 -32.59 58.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.228 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.99 -39.65 75.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.3 -43.68 88.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.59 -43.7 93.6 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.683 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 9.3 t80 -62.07 -46.46 89.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.703 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' C' ' 44' ' ' GLN . 99.6 mtt180 -55.87 -33.41 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.595 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -65.92 -45.97 79.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.3 -33.12 71.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 110.302 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -29.7 32.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' C' ' 44' ' ' GLN . 3.6 tp60 -67.17 -21.39 65.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.146 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.474 ' HG ' HD23 ' C' ' 46' ' ' LEU . 12.6 tp -54.43 -48.82 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.759 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.474 HD23 ' HG ' ' C' ' 45' ' ' LEU . 2.9 pp -159.56 122.82 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 111.321 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.606 HE22 HD12 ' B' ' 7' ' ' LEU . 28.5 tp60 -99.85 61.81 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.422 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 96.0 mtt180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.8 pt-20 -167.27 12.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.03 -143.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.11 143.59 50.56 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 110.532 179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 56.2 m-85 -127.12 166.1 18.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.876 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 3.6 m-85 -116.37 128.12 55.25 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.398 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.789 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.1 OUTLIER -110.31 123.82 50.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.425 -1.262 . . . . 0.0 109.403 -178.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.609 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.8 OUTLIER -98.79 111.36 23.77 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.863 -179.141 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.481 HG21 HD22 ' D' ' 18' ' ' LEU . 20.5 t -117.75 126.65 74.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.866 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.55 138.99 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 91.05 123.8 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.341 -0.933 . . . . 0.0 111.569 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -53.55 -47.23 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.29 -47.16 69.44 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -66.56 -44.11 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.719 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.782 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.4 t80 -59.58 -45.2 92.56 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.502 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.24 -47.42 82.54 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.06 -43.75 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.338 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.768 HD13 HD12 ' C' ' 25' ' ' LEU . 1.1 tp -75.57 -33.43 60.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.875 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.649 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -66.61 -49.87 64.88 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 7.9 tmtm? -58.04 -36.42 72.72 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 177.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 1.152 HD21 HD21 ' B' ' 21' ' ' LEU . 10.5 tp -71.4 -36.3 71.32 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.036 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.645 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -58.19 -38.21 76.28 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.046 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 42.7 mt-10 -66.8 -44.2 81.89 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.448 178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.42 ' HA ' ' HE2' ' B' ' 28' ' ' MET . 45.8 p -60.8 -46.1 91.81 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.571 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.769 HD12 HD13 ' C' ' 18' ' ' LEU . 15.9 mt -64.0 -46.24 85.44 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.649 0.261 . . . . 0.0 111.537 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 32.0 mt-10 -67.63 -42.3 82.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.3 mt -65.72 -33.19 75.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.847 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' B' ' 24' ' ' SER . 10.8 ttm -56.11 -13.56 2.09 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.267 -0.973 . . . . 0.0 111.48 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.3 pt-20 -90.51 -21.57 21.76 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.069 -0.394 . . . . 0.0 111.778 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.919 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -91.35 3.34 55.13 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.09 0.471 . . . . 0.0 111.219 -178.117 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.926 HG21 HD21 ' B' ' 30' ' ' LEU . 2.4 p -99.69 123.78 46.54 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.425 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -41.28 128.38 3.16 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.523 2.149 . . . . 0.0 112.252 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 8.6 tt0 -51.64 -45.51 91.31 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.356 -179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 52.8 Cg_exo -56.1 -33.12 89.15 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.02 1.814 . . . . 0.0 112.815 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.593 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 40.7 tp -76.77 -32.58 57.81 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.222 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.98 -39.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.29 -43.68 88.13 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -59.55 -43.69 93.47 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.723 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . 0.47 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 9.2 t80 -62.05 -46.46 89.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.688 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' D' ' 44' ' ' GLN . 99.6 mtt180 -55.86 -33.39 64.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.604 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -65.93 -46.02 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.21 -33.16 71.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.057 0.456 . . . . 0.0 110.317 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -29.66 32.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' D' ' 44' ' ' GLN . 3.6 tp60 -67.17 -21.38 65.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.111 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' D' ' 46' ' ' LEU . 12.6 tp -54.4 -48.82 71.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' D' ' 45' ' ' LEU . 2.9 pp -159.64 122.72 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.595 HE22 HD12 ' A' ' 7' ' ' LEU . 28.5 tp60 -99.82 61.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.415 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.629 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 95.9 mtt180 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.442 ' HA ' ' OH ' ' A' ' 5' ' ' TYR . 12.6 pt-20 -164.73 20.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.72 -145.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.327 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.708 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.3 OUTLIER -71.44 142.62 50.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.577 0.703 . . . . 0.0 110.595 179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.4 m-85 -126.39 165.64 18.66 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.514 -177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.23 54.77 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.626 -0.829 . . . . 0.0 109.61 176.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -112.05 109.52 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.41 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 2.0 tt0 -82.01 112.69 19.32 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.422 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 14' ' ' ASN . 12.0 t -118.06 125.89 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.27 -178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.64 33.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 0.0 110.681 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.518 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 91.02 123.96 2.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.625 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.55 -47.61 69.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.22 -46.9 69.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.844 0.354 . . . . 0.0 111.665 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' CG ' HG13 ' A' ' 9' ' ' VAL . 50.1 t-20 -64.42 -46.74 81.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.395 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' B' ' 7' ' ' LEU . 15.8 t80 -58.18 -46.7 85.3 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.611 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.04 85.0 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.48 -44.04 97.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.278 179.739 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' B' ' 18' ' ' LEU . 0.7 OUTLIER -75.88 -30.69 58.94 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.649 ' HE1' ' HE2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -69.85 -49.83 48.65 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 20' ' ' LYS . 6.9 tmtm? -58.5 -36.1 73.28 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' C' ' 21' ' ' LEU . 11.0 tp -71.55 -40.6 69.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 113.871 -1.513 . . . . 0.0 111.963 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.649 ' HE2' ' HE1' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.37 -37.5 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.488 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.81 -43.76 82.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.537 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.6 p -63.04 -49.13 75.82 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD12 HD13 ' B' ' 18' ' ' LEU . 9.7 mt -63.16 -45.19 93.01 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.734 0.302 . . . . 0.0 111.12 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.1 mt-10 -65.31 -43.55 90.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.041 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.528 HD12 ' HE2' ' C' ' 28' ' ' MET . 30.0 mt -65.55 -31.62 72.77 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.741 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.519 ' HE2' HD12 ' C' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.72 3.16 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.097 -1.041 . . . . 0.0 111.59 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.9 pt-20 -89.4 -20.79 23.53 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 122.17 -0.331 . . . . 0.0 111.582 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.766 ' CD2' HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -92.36 5.06 52.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.54 49.2 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.795 178.202 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -40.67 127.05 2.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.447 2.098 . . . . 0.0 111.958 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.577 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 7.4 tp60 -50.18 -51.53 61.86 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 -178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 11.8 Cg_endo -54.57 -29.67 61.56 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.143 1.896 . . . . 0.0 112.998 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 47.3 tp -77.72 -32.95 53.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.358 -179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.462 HG13 HD11 ' C' ' 27' ' ' LEU . 55.6 t -70.99 -40.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.8 -44.7 90.83 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.28 -44.17 92.49 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.837 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.78 -45.4 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.57 -34.32 64.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.704 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 41' ' ' GLN . 0.0 OUTLIER -63.89 -49.02 74.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 5.9 tp-100 -60.43 -24.97 65.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.308 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.476 HE21 HE22 ' A' ' 44' ' ' GLN . 25.0 tt0 -78.39 -48.81 14.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.659 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 HE22 HE21 ' A' ' 43' ' ' GLN . 1.1 mp0 -57.48 -21.5 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.474 . . . . 0.0 110.217 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 42' ' ' GLN . 1.4 tp -54.9 -47.97 73.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' CD1' HE22 ' D' ' 8' ' ' GLN . 74.9 mt -119.38 -76.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.29 15.38 6.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.214 0.531 . . . . 0.0 110.045 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.153 -0.927 . . . . 0.0 111.028 -179.824 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' B' ' 5' ' ' TYR . 12.5 pt-20 -164.8 21.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.281 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -71.46 142.63 50.21 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.564 0.697 . . . . 0.0 110.571 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.67 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.2 m-85 -126.36 165.64 18.64 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.595 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.2 54.74 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.649 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.837 HD13 ' CE1' ' A' ' 15' ' ' PHE . 1.1 tp -112.07 109.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.373 -177.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 2.0 tt0 -81.99 112.68 19.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.444 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' B' ' 14' ' ' ASN . 12.1 t -118.07 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.225 -178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.3 tmt_? -96.63 138.58 33.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.017 0.437 . . . . 0.0 110.717 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 91.03 123.87 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.659 -179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.46 -47.65 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.23 -46.85 69.3 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.794 0.33 . . . . 0.0 111.659 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' B' ' 9' ' ' VAL . 49.8 t-20 -64.53 -46.73 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' A' ' 7' ' ' LEU . 15.9 t80 -58.11 -46.75 85.02 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.632 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.9 -47.06 84.92 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' B' ' 21' ' ' LEU . 0.8 OUTLIER -61.43 -44.0 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.364 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.704 ' HG ' ' HG ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -75.92 -30.78 58.86 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.62 ' HE1' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -69.75 -49.92 48.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' B' ' 20' ' ' LYS . 6.9 tmtm? -58.43 -36.08 73.09 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' D' ' 21' ' ' LEU . 11.0 tp -71.64 -40.53 69.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.888 -1.505 . . . . 0.0 111.939 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.62 ' HE2' ' HE1' ' B' ' 19' ' ' MET . 0.0 OUTLIER -56.39 -37.52 70.25 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.73 -43.79 83.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.553 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 49.7 p -63.11 -49.01 76.11 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 18' ' ' LEU . 9.7 mt -63.2 -45.19 92.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.676 0.274 . . . . 0.0 111.07 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 28.1 mt-10 -65.4 -43.44 90.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.057 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD11 HG13 ' D' ' 36' ' ' VAL . 30.0 mt -65.61 -31.49 72.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.784 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.515 ' HE2' HD12 ' D' ' 27' ' ' LEU . 13.8 ttm -56.53 -14.66 3.29 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.133 -1.027 . . . . 0.0 111.595 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.9 pt-20 -89.46 -20.79 23.46 Favored 'General case' 0 C--N 1.332 -0.171 0 O-C-N 122.115 -0.365 . . . . 0.0 111.535 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.763 ' CD2' HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -92.41 5.22 51.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.529 . . . . 0.0 110.704 -178.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.87 123.63 48.71 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.77 178.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.69 127.09 2.42 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.465 2.11 . . . . 0.0 111.938 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 7.4 tp60 -50.22 -51.58 61.64 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 11.9 Cg_endo -54.49 -29.71 60.95 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.22 1.947 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 47.2 tp -77.78 -32.84 52.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.395 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.464 HG13 HD11 ' D' ' 27' ' ' LEU . 55.1 t -70.99 -40.19 75.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.79 -44.62 90.78 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 44.2 t -59.37 -44.11 92.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.815 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.84 -45.37 94.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.934 0.397 . . . . 0.0 110.426 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.63 -34.27 64.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.722 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.592 ' HA ' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -63.97 -49.05 74.05 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' B' ' 45' ' ' LEU . 5.9 tp-100 -60.35 -24.99 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.291 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.483 HE21 HE22 ' B' ' 44' ' ' GLN . 25.0 tt0 -78.41 -48.85 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.483 HE22 HE21 ' B' ' 43' ' ' GLN . 1.1 mp0 -57.49 -21.43 37.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' B' ' 42' ' ' GLN . 1.4 tp -54.89 -48.06 73.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.199 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.445 ' CD1' HE22 ' C' ' 8' ' ' GLN . 74.8 mt -119.38 -76.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.26 15.37 6.37 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.147 0.498 . . . . 0.0 110.026 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.128 -0.939 . . . . 0.0 111.028 -179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.444 ' HA ' ' OH ' ' C' ' 5' ' ' TYR . 12.5 pt-20 -164.78 21.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.76 -145.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.302 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.3 OUTLIER -71.49 142.73 50.16 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.574 0.702 . . . . 0.0 110.552 179.747 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.649 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.8 m-85 -126.51 165.68 18.66 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.511 -177.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.32 126.18 54.72 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.636 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 15' ' ' PHE . 1.1 tp -112.07 109.51 19.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.403 -177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.667 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 2.0 tt0 -81.98 112.75 19.36 Favored 'General case' 0 N--CA 1.442 -0.825 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.441 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.459 HG13 ' CG ' ' C' ' 14' ' ' ASN . 12.0 t -118.13 125.84 74.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.252 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.688 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.3 tmt_? -96.61 138.72 33.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 0.0 110.704 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.89 123.95 2.87 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.684 -179.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.52 -47.59 69.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.3 -46.84 69.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.826 0.346 . . . . 0.0 111.636 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.459 ' CG ' HG13 ' C' ' 9' ' ' VAL . 50.0 t-20 -64.45 -46.72 81.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.835 ' CE1' HD13 ' D' ' 7' ' ' LEU . 15.8 t80 -58.22 -46.64 85.52 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.656 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -62.91 -47.07 84.84 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' C' ' 21' ' ' LEU . 0.7 OUTLIER -61.42 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.34 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' D' ' 18' ' ' LEU . 0.7 OUTLIER -75.87 -30.7 58.95 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.186 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.65 ' HE1' ' HE2' ' C' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.9 48.48 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' C' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.1 73.24 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 1.014 HD21 HD21 ' A' ' 21' ' ' LEU . 11.0 tp -71.61 -40.53 69.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.962 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.65 ' HE2' ' HE1' ' C' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.54 70.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.76 -43.74 83.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.569 178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 49.0 p -63.09 -49.08 75.87 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.618 HD12 HD13 ' D' ' 18' ' ' LEU . 9.7 mt -63.16 -45.14 93.23 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.694 0.283 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 28.0 mt-10 -65.37 -43.49 90.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.068 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.519 HD12 ' HE2' ' A' ' 28' ' ' MET . 30.0 mt -65.58 -31.63 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.741 179.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.528 ' HE2' HD12 ' A' ' 27' ' ' LEU . 14.0 ttm -56.38 -14.78 3.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.126 -1.03 . . . . 0.0 111.548 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.9 pt-20 -89.3 -20.9 23.5 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.15 -0.344 . . . . 0.0 111.578 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -92.27 5.11 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.21 0.529 . . . . 0.0 110.756 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.967 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.82 123.64 48.79 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.786 178.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -40.71 127.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.486 2.124 . . . . 0.0 111.97 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 7.4 tp60 -50.13 -51.57 61.24 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 11.8 Cg_endo -54.53 -29.65 61.0 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.178 1.918 . . . . 0.0 112.929 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.577 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 47.4 tp -77.86 -32.89 52.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 27' ' ' LEU . 55.5 t -70.96 -40.17 76.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -58.78 -44.72 90.75 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 44.1 t -59.25 -44.12 92.41 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -60.86 -45.41 94.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.909 0.385 . . . . 0.0 110.445 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.56 -34.31 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.668 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.587 HE21 ' HA ' ' C' ' 41' ' ' GLN . 0.0 OUTLIER -63.96 -49.02 74.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' C' ' 45' ' ' LEU . 5.9 tp-100 -60.4 -24.94 65.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.321 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . 0.475 HE21 HE22 ' C' ' 44' ' ' GLN . 25.0 tt0 -78.41 -48.81 14.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.66 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.475 HE22 HE21 ' C' ' 43' ' ' GLN . 1.1 mp0 -57.47 -21.46 37.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.202 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' C' ' 42' ' ' GLN . 1.4 tp -54.94 -48.0 73.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.163 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.428 ' CD1' HE22 ' B' ' 8' ' ' GLN . 75.1 mt -119.4 -76.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.24 15.46 6.43 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.157 0.503 . . . . 0.0 110.03 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.982 -179.792 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.439 ' HA ' ' OH ' ' D' ' 5' ' ' TYR . 12.6 pt-20 -164.78 21.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -82.78 -145.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.299 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.688 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.3 OUTLIER -71.42 142.55 50.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.573 0.702 . . . . 0.0 110.568 179.724 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 67.1 m-85 -126.33 165.76 18.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.546 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -114.37 126.16 54.68 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.65 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.835 HD13 ' CE1' ' C' ' 15' ' ' PHE . 1.0 OUTLIER -112.04 109.56 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.378 -177.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 2.0 tt0 -82.03 112.68 19.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.452 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' D' ' 14' ' ' ASN . 12.0 t -118.09 125.84 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.709 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.3 tmt_? -96.56 138.62 33.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.045 0.45 . . . . 0.0 110.691 -177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.523 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.98 123.88 2.89 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.676 -179.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -53.44 -47.63 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.2 -46.92 69.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.844 0.354 . . . . 0.0 111.686 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.476 ' CG ' HG13 ' D' ' 9' ' ' VAL . 49.9 t-20 -64.44 -46.69 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 7' ' ' LEU . 15.8 t80 -58.19 -46.67 85.37 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.627 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.91 -47.17 84.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.561 ' O ' ' HB2' ' D' ' 21' ' ' LEU . 0.7 OUTLIER -61.39 -44.03 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.335 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.708 ' HG ' ' HG ' ' C' ' 18' ' ' LEU . 0.7 OUTLIER -75.9 -30.73 58.9 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.144 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.615 ' HE1' ' HE2' ' D' ' 22' ' ' LYS . 0.0 OUTLIER -69.76 -49.93 48.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' D' ' 20' ' ' LYS . 6.9 tmtm? -58.49 -36.12 73.28 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 1.035 HD21 HD21 ' B' ' 21' ' ' LEU . 11.0 tp -71.53 -40.57 69.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.954 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.615 ' HE2' ' HE1' ' D' ' 19' ' ' MET . 0.0 OUTLIER -56.4 -37.48 70.21 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.78 -43.77 83.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.405 -1.27 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . . . . . . . . . 49.3 p -63.04 -49.08 76.0 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.634 HD12 HD13 ' C' ' 18' ' ' LEU . 9.7 mt -63.19 -45.16 93.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.643 0.258 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 28.1 mt-10 -65.36 -43.4 90.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' B' ' 28' ' ' MET . 29.7 mt -65.72 -31.52 72.56 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.706 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' D' ' 28' ' ' MET . 13.9 ttm -56.44 -14.77 3.27 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.128 -1.029 . . . . 0.0 111.497 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.9 pt-20 -89.37 -20.82 23.52 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.144 -0.347 . . . . 0.0 111.543 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.762 ' CD2' HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -92.35 5.1 51.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.541 . . . . 0.0 110.759 -178.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.971 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.75 123.6 49.08 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.775 178.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.71 127.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.404 2.069 . . . . 0.0 111.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.573 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 7.4 tp60 -50.16 -51.59 61.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 11.9 Cg_endo -54.55 -29.65 61.17 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.164 1.909 . . . . 0.0 112.986 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.594 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 46.8 tp -77.74 -32.97 53.03 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.386 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.467 HG13 HD11 ' B' ' 27' ' ' LEU . 55.8 t -70.91 -40.19 76.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -58.79 -44.71 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 44.4 t -59.27 -44.13 92.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.815 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -60.84 -45.44 94.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.971 0.415 . . . . 0.0 110.454 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.54 -34.27 64.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.702 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . 0.595 ' HA ' HE21 ' D' ' 41' ' ' GLN . 0.0 OUTLIER -63.98 -49.05 74.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' D' ' 45' ' ' LEU . 5.9 tp-100 -60.33 -25.03 65.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.313 179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . 0.484 HE21 HE22 ' D' ' 44' ' ' GLN . 24.9 tt0 -78.33 -48.9 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.645 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . 0.484 HE22 HE21 ' D' ' 43' ' ' GLN . 1.1 mp0 -57.44 -21.53 37.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.177 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' D' ' 42' ' ' GLN . 1.4 tp -54.91 -48.01 73.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.204 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.445 ' CD1' HE22 ' A' ' 8' ' ' GLN . 74.7 mt -119.37 -76.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.33 15.34 6.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.168 0.509 . . . . 0.0 110.032 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.027 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.16 17.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -145.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.231 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -71.63 142.06 49.94 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.613 0.72 . . . . 0.0 110.595 179.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.646 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 67.0 m-85 -126.29 165.5 18.87 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.502 -178.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' B' ' 8' ' ' GLN . 4.0 m-85 -114.35 126.96 55.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.877 176.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.9 OUTLIER -113.03 109.36 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.306 -178.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.659 ' H ' ' HZ2' ' B' ' 22' ' ' LYS . 0.5 OUTLIER -82.93 111.29 18.67 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.985 179.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 HD13 ' A' ' 18' ' ' LEU . 42.4 t -115.02 125.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.336 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.5 tmt_? -96.32 138.92 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.587 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.494 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 90.3 124.18 2.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.247 -0.977 . . . . 0.0 111.588 -178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.31 68.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.38 -47.14 69.75 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.05 -44.67 83.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.809 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.831 ' CE1' HD13 ' B' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.09 87.23 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.324 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.36 -46.0 88.58 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -62.93 -42.48 96.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.597 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 9' ' ' VAL . 4.3 mt -74.93 -34.92 62.18 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.221 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.0 68.18 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.1 -38.11 75.82 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' C' ' 21' ' ' LEU . 0.4 OUTLIER -68.6 -42.98 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.314 179.598 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.644 ' HZ2' ' H ' ' B' ' 8' ' ' GLN . 12.8 ttpt -50.74 -40.96 55.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.95 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -45.0 77.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.373 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' HB2' ' C ' ' C' ' 24' ' ' SER . 87.9 p -60.81 -46.91 88.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.825 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.3 -46.09 85.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.662 0.267 . . . . 0.0 111.418 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 36.9 mt-10 -67.77 -41.91 82.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.195 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 30' ' ' LEU . 33.0 mt -66.47 -32.71 74.24 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.776 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HE2' HD12 ' C' ' 27' ' ' LEU . 23.1 ttm -55.13 -14.71 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.194 -1.002 . . . . 0.0 111.224 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt-20 -89.5 -22.78 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 122.266 -0.271 . . . . 0.0 111.615 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.795 HD21 HG11 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -89.79 2.26 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.2 0.524 . . . . 0.0 110.727 -178.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' C' ' 31' ' ' VAL . 0.2 OUTLIER -98.74 123.48 49.53 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.238 177.656 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -41.27 127.2 2.95 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.334 2.023 . . . . 0.0 111.968 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' A' ' 34' ' ' PRO . 57.1 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.247 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.49 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.038 1.825 . . . . 0.0 112.752 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 62.7 tp -77.05 -32.7 57.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.134 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG13 HD11 ' C' ' 27' ' ' LEU . 53.3 t -70.97 -40.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.56 -43.57 89.39 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.3 t -59.07 -43.82 91.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.762 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -61.45 -45.64 93.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.917 0.389 . . . . 0.0 110.633 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.83 -33.56 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.69 66.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.82 -30.69 70.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -81.92 -35.47 29.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.33 -22.43 66.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.1 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.64 -45.19 77.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.983 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD12 HE22 ' D' ' 8' ' ' GLN . 87.3 mt -112.13 -70.63 0.8 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.421 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 HE21 ' NZ ' ' C' ' 22' ' ' LYS . 0.0 OUTLIER 57.1 39.54 29.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.12 0.486 . . . . 0.0 110.355 -179.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.886 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.1 17.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.17 -145.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -71.7 142.09 49.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.687 0.756 . . . . 0.0 110.551 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 67.3 m-85 -126.24 165.49 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.519 -177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 8' ' ' GLN . 3.9 m-85 -114.39 126.95 55.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.786 -0.765 . . . . 0.0 109.877 176.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.831 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -113.01 109.35 18.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.303 -178.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.6 OUTLIER -82.89 111.22 18.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.526 -0.869 . . . . 0.0 110.981 179.484 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.674 HG21 HD13 ' B' ' 18' ' ' LEU . 42.6 t -114.96 124.97 72.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.39 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.703 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.5 tmt_? -96.33 138.89 33.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 0.0 110.612 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.483 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 90.36 124.24 2.77 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.203 -0.998 . . . . 0.0 111.597 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -53.45 -48.28 68.96 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.43 -47.13 69.92 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -66.12 -44.58 83.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' A' ' 7' ' ' LEU . 16.8 t80 -58.06 -45.03 87.75 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.282 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.39 -45.91 88.86 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.07 -42.46 96.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.674 HD13 HG21 ' B' ' 9' ' ' VAL . 4.3 mt -74.88 -34.95 62.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.219 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -66.47 -49.0 68.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.12 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.647 HD21 ' HG ' ' D' ' 21' ' ' LEU . 0.4 OUTLIER -68.69 -42.95 77.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.252 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.704 ' HZ3' HD12 ' A' ' 7' ' ' LEU . 12.8 ttpt -50.89 -40.83 57.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.958 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -44.96 76.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.408 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.451 ' C ' ' HB2' ' D' ' 24' ' ' SER . 88.3 p -60.78 -46.98 88.38 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.786 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.29 -46.01 85.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.683 0.278 . . . . 0.0 111.439 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 29' ' ' GLU . 36.8 mt-10 -67.88 -41.91 82.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.459 ' O ' HD23 ' B' ' 30' ' ' LEU . 32.8 mt -66.39 -32.8 74.4 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.766 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.437 ' HG3' HD13 ' D' ' 27' ' ' LEU . 23.1 ttm -55.1 -14.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.174 -1.011 . . . . 0.0 111.259 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.4 pt-20 -89.55 -22.62 22.31 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.24 -0.287 . . . . 0.0 111.601 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.774 HD21 HG11 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -89.92 2.35 55.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.26 0.553 . . . . 0.0 110.676 -178.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' D' ' 31' ' ' VAL . 0.2 OUTLIER -98.79 123.5 49.36 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.222 177.659 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -41.27 127.15 2.95 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.332 2.021 . . . . 0.0 111.987 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.469 ' HB3' ' HD3' ' B' ' 34' ' ' PRO . 57.0 tp60 -51.55 -46.43 90.75 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.286 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' B' ' 33' ' ' GLN . 44.5 Cg_exo -57.03 -31.86 91.41 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.99 1.793 . . . . 0.0 112.77 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.604 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 62.6 tp -77.09 -32.68 56.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.075 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.409 HG13 HD11 ' D' ' 27' ' ' LEU . 53.4 t -70.97 -40.13 75.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.57 -43.64 89.47 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 t -59.0 -43.85 91.57 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.771 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.47 -45.66 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 0.0 110.649 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.72 -33.68 64.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.54 -47.68 66.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.034 178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.68 70.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.801 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -81.99 -35.35 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -64.32 -22.47 66.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.171 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.6 -45.28 77.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.022 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.461 HD12 HE22 ' C' ' 8' ' ' GLN . 86.9 mt -112.03 -70.6 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.484 HE21 ' NZ ' ' D' ' 22' ' ' LYS . 0.0 OUTLIER 57.13 39.52 28.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.128 0.49 . . . . 0.0 110.397 -179.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.764 0.316 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.24 17.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.23 -145.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.218 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.706 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -71.61 142.12 49.97 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 110.591 179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 66.9 m-85 -126.33 165.46 18.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.506 -178.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' D' ' 8' ' ' GLN . 3.9 m-85 -114.34 126.97 55.6 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.84 -0.744 . . . . 0.0 109.9 176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.823 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.9 OUTLIER -113.04 109.37 18.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.303 -178.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.5 OUTLIER -82.94 111.2 18.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.6 -0.84 . . . . 0.0 111.016 179.485 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.683 HG21 HD13 ' C' ' 18' ' ' LEU . 42.4 t -115.01 124.92 72.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.388 -177.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.686 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.5 tmt_? -96.24 138.89 33.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.493 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 90.31 124.22 2.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.607 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.46 -48.32 68.95 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.33 -47.14 69.59 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -66.06 -44.65 83.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 7' ' ' LEU . 16.8 t80 -57.96 -45.12 87.16 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.302 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.37 -45.95 88.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.442 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -62.99 -42.52 96.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.568 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.683 HD13 HG21 ' C' ' 9' ' ' VAL . 4.4 mt -74.85 -34.93 62.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.25 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.572 ' HB2' ' O ' ' C' ' 15' ' ' PHE . 0.0 OUTLIER -66.43 -49.1 67.85 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -57.96 -38.14 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.645 HD21 ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.61 -42.9 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.356 179.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.647 ' HZ2' ' H ' ' D' ' 8' ' ' GLN . 12.8 ttpt -50.83 -40.94 57.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.957 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.02 76.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.313 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.447 ' C ' ' HB2' ' A' ' 24' ' ' SER . 88.0 p -60.66 -47.02 88.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.834 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.26 -45.99 85.67 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 111.478 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' C' ' 29' ' ' GLU . 36.8 mt-10 -67.89 -41.9 82.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.464 ' O ' HD23 ' C' ' 30' ' ' LEU . 32.8 mt -66.43 -32.73 74.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.756 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.449 ' HE2' HD12 ' A' ' 27' ' ' LEU . 23.3 ttm -55.09 -14.7 1.7 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.256 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.69 22.31 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 122.264 -0.273 . . . . 0.0 111.636 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.791 HD21 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -89.88 2.35 55.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.539 . . . . 0.0 110.691 -178.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.973 HG13 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -98.78 123.54 49.24 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.242 177.633 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -41.28 127.22 2.96 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.31 2.007 . . . . 0.0 112.014 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' C' ' 34' ' ' PRO . 57.0 tp60 -51.65 -46.42 91.19 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.26 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' C' ' 33' ' ' GLN . 45.0 Cg_exo -57.05 -31.87 91.48 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 121.987 1.791 . . . . 0.0 112.788 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 62.8 tp -76.96 -32.78 57.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.124 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 27' ' ' LEU . 53.3 t -70.97 -40.1 75.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.624 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -58.58 -43.63 89.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -58.97 -43.84 91.42 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.44 -45.73 93.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.632 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.69 -33.65 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.847 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -68.65 -47.62 66.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.996 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.84 -30.71 70.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -81.96 -35.35 29.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.648 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -64.33 -22.49 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.132 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.53 -45.29 77.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.022 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.475 HD12 HE22 ' B' ' 8' ' ' GLN . 86.9 mt -112.0 -70.62 0.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.409 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . 0.476 HE21 ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 57.12 39.49 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.116 0.484 . . . . 0.0 110.36 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.731 0.301 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -167.19 17.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.19 -145.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.195 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -71.68 142.07 49.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.598 0.713 . . . . 0.0 110.59 179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.654 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 66.8 m-85 -126.25 165.46 18.91 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.531 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' C' ' 8' ' ' GLN . 3.9 m-85 -114.34 127.06 55.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.831 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.9 OUTLIER -113.15 109.37 18.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.244 -178.108 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.647 ' H ' ' HZ2' ' C' ' 22' ' ' LYS . 0.5 OUTLIER -82.95 111.22 18.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.534 -0.867 . . . . 0.0 110.999 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.676 HG21 HD13 ' D' ' 18' ' ' LEU . 42.6 t -114.96 124.92 72.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.348 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.706 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.5 tmt_? -96.34 138.88 33.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -177.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.485 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 90.31 124.26 2.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.274 -0.965 . . . . 0.0 111.548 -179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.43 -48.39 68.79 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.32 -47.15 69.52 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -66.13 -44.62 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.823 ' CE1' HD13 ' C' ' 7' ' ' LEU . 16.8 t80 -57.97 -45.1 87.27 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.31 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.41 -45.92 88.79 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.01 -42.44 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.635 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.676 HD13 HG21 ' D' ' 9' ' ' VAL . 4.4 mt -74.9 -34.95 62.25 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.19 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.565 ' HB2' ' O ' ' D' ' 15' ' ' PHE . 0.0 OUTLIER -66.51 -48.98 68.05 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -58.08 -38.12 75.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.647 ' HG ' HD21 ' B' ' 21' ' ' LEU . 0.4 OUTLIER -68.65 -42.94 77.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.314 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.719 ' HZ3' HD12 ' C' ' 7' ' ' LEU . 12.8 ttpt -50.81 -40.91 56.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.972 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.98 76.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.4 178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.451 ' HB2' ' C ' ' B' ' 24' ' ' SER . 88.6 p -60.77 -46.92 88.6 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.854 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.27 -46.07 85.33 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.662 0.267 . . . . 0.0 111.442 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' D' ' 29' ' ' GLU . 36.9 mt-10 -67.87 -41.89 82.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.462 ' O ' HD23 ' D' ' 30' ' ' LEU . 32.6 mt -66.51 -32.72 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.783 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.436 ' HG3' HD13 ' B' ' 27' ' ' LEU . 23.1 ttm -54.97 -14.75 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.155 -1.018 . . . . 0.0 111.314 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.4 pt-20 -89.51 -22.74 22.28 Favored 'General case' 0 C--O 1.232 0.144 0 O-C-N 122.223 -0.298 . . . . 0.0 111.582 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.775 HD21 HG11 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -89.86 2.34 55.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.218 0.532 . . . . 0.0 110.696 -178.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.968 HG13 HG13 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -98.7 123.46 49.69 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.288 177.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -41.24 127.15 2.91 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.039 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' HD3' ' D' ' 34' ' ' PRO . 57.0 tp60 -51.63 -46.38 91.13 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.247 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' D' ' 33' ' ' GLN . 44.8 Cg_exo -57.06 -31.87 91.51 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.983 1.788 . . . . 0.0 112.739 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.602 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 62.7 tp -76.99 -32.77 57.46 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.113 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.41 HG13 HD11 ' B' ' 27' ' ' LEU . 53.4 t -70.94 -40.15 76.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.618 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -58.51 -43.61 89.17 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t -59.03 -43.92 91.69 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -61.42 -45.68 93.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.613 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -55.74 -33.63 64.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.888 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -68.54 -47.65 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.048 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.9 -30.64 70.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -82.0 -35.38 28.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -64.28 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.146 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.55 -45.16 77.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.022 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.457 HD12 HE22 ' A' ' 8' ' ' GLN . 87.1 mt -112.14 -70.67 0.8 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.366 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . 0.484 HE21 ' NZ ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER 57.17 39.46 28.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.097 0.475 . . . . 0.0 110.343 -179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.911 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.992 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.726 ' HA ' ' HA ' ' B' ' 10' ' ' ARG . 0.2 OUTLIER -72.78 143.42 47.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.506 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.64 ' O ' ' HA ' ' B' ' 8' ' ' GLN . 66.0 m-85 -126.38 165.93 18.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.562 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' HB2' ' HA ' ' D' ' 48' ' ' ARG . 4.5 m-85 -114.85 127.59 55.8 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.886 176.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.791 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.3 OUTLIER -112.75 109.55 19.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.619 -178.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' B' ' 5' ' ' TYR . 0.3 OUTLIER -82.47 115.82 21.64 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 119.531 -0.868 . . . . 0.0 110.478 178.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 18' ' ' LEU . 34.6 t -121.79 126.4 74.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.209 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' B' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.7 35.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 111.063 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' HD3' ' A' ' 10' ' ' ARG . . . 92.55 124.95 3.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.729 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.5 68.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.27 -46.79 72.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.773 0.321 . . . . 0.0 111.788 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' A' ' 18' ' ' LEU . 2.0 m-20 -64.51 -46.0 84.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.049 0.452 . . . . 0.0 110.527 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.799 ' CE1' HD13 ' B' ' 7' ' ' LEU . 13.6 t80 -58.07 -46.02 86.13 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.712 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.58 -44.71 95.65 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' D' ' 17' ' ' ILE . 1.1 mt -63.12 -43.96 99.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.346 -0.541 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' B' ' 18' ' ' LEU . 0.7 OUTLIER -73.16 -40.1 65.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.9 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.573 ' HA ' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.94 84.12 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' D' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.25 79.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' C' ' 21' ' ' LEU . 1.9 tp -70.15 -38.92 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 1.9 tmtm? -54.22 -41.39 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HA ' ' OH ' ' C' ' 39' ' ' TYR . 34.2 mt-10 -65.87 -44.17 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.165 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.53 ' C ' ' HB2' ' C' ' 24' ' ' SER . 89.2 p -61.97 -47.43 84.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.496 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 21' ' ' LEU . 8.1 mt -63.4 -45.79 89.41 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.65 0.262 . . . . 0.0 111.355 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 49.4 mm-40 -67.15 -43.96 81.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.285 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 28.4 mt -65.29 -31.97 73.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.673 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' MET . 20.5 ttm -55.63 -13.63 1.73 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.326 -0.95 . . . . 0.0 111.321 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 5.2 pt-20 -90.61 -24.1 20.63 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.913 HD21 HG21 ' C' ' 31' ' ' VAL . 0.3 OUTLIER -88.58 2.8 52.38 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.21 -178.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG21 HD21 ' C' ' 30' ' ' LEU . 2.0 p -99.61 123.86 46.43 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.349 178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -39.92 127.95 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.564 2.176 . . . . 0.0 112.403 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 9.5 tt0 -50.18 -48.71 79.1 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.474 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 33' ' ' GLN . 14.9 Cg_endo -56.99 -30.25 85.77 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.118 1.879 . . . . 0.0 113.027 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' C' ' 30' ' ' LEU . 55.0 tp -77.41 -33.04 55.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.146 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 HD11 ' C' ' 27' ' ' LEU . 55.9 t -70.97 -40.02 75.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.32 -43.34 88.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.31 -43.95 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' C' ' 23' ' ' GLU . 7.0 t80 -61.41 -45.8 92.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.36 -33.41 63.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.392 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.08 -45.59 80.73 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.47 68.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.041 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -44.25 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.516 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.44 65.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.375 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.05 -49.74 72.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.25 179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.7 tp -139.52 87.47 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.51 47.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' D' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.2 21.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -81.05 -145.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -72.84 143.5 47.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.688 0.756 . . . . 0.0 110.454 179.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' GLN . 65.9 m-85 -126.51 165.92 18.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.607 -177.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' C' ' 48' ' ' ARG . 4.6 m-85 -114.9 127.63 55.81 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.812 176.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.799 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -112.76 109.53 19.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.627 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER -82.48 115.86 21.67 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.465 179.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.687 HG21 HD13 ' B' ' 18' ' ' LEU . 34.1 t -121.81 126.36 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.242 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.726 ' HA ' ' HA ' ' A' ' 4' ' ' THR . 4.4 tmt_? -96.71 137.75 35.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.097 0.475 . . . . 0.0 111.097 -177.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' B' ' 10' ' ' ARG . . . 92.45 125.03 3.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.722 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.27 -48.41 68.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.2 -46.89 72.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 0.0 111.784 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.505 ' O ' HD12 ' B' ' 18' ' ' LEU . 2.0 m-20 -64.49 -46.11 84.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.017 0.437 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.791 ' CE1' HD13 ' A' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.96 86.16 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.706 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.64 -44.68 95.66 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' C' ' 17' ' ' ILE . 1.1 mt -63.09 -44.0 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.781 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -73.14 -40.11 65.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.854 -179.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.97 -47.84 84.57 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' HB3' HD13 ' C' ' 17' ' ' ILE . 7.6 tmtm? -58.71 -39.17 80.03 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' D' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.16 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' B' ' 26' ' ' GLU . 1.9 tmtm? -54.23 -41.32 68.58 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.414 ' HA ' ' OH ' ' D' ' 39' ' ' TYR . 34.0 mt-10 -65.81 -44.19 86.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.208 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.533 ' HB2' ' C ' ' D' ' 24' ' ' SER . 90.1 p -61.94 -47.52 84.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.488 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' B' ' 21' ' ' LEU . 8.1 mt -63.35 -45.78 89.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.666 0.27 . . . . 0.0 111.346 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' B' ' 22' ' ' LYS . 49.5 mm-40 -67.13 -43.94 81.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.831 0.348 . . . . 0.0 111.291 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 28.1 mt -65.31 -32.01 73.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.637 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' B' ' 28' ' ' MET . 20.4 ttm -55.64 -13.61 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.257 -0.977 . . . . 0.0 111.29 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 26' ' ' GLU . 5.2 pt-20 -90.65 -24.11 20.58 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.135 -0.353 . . . . 0.0 111.931 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.925 HD21 HG21 ' D' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.7 52.36 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.097 0.475 . . . . 0.0 111.216 -178.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.933 HG21 HD21 ' D' ' 30' ' ' LEU . 2.0 p -99.57 123.89 46.38 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.318 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -39.95 128.03 2.0 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.57 2.18 . . . . 0.0 112.377 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' B' ' 34' ' ' PRO . 9.5 tt0 -50.2 -48.74 79.19 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.464 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' B' ' 33' ' ' GLN . 14.9 Cg_endo -56.96 -30.23 85.44 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.182 1.921 . . . . 0.0 113.024 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.599 ' HG ' ' CD1' ' D' ' 30' ' ' LEU . 55.2 tp -77.44 -33.06 54.93 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.151 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' D' ' 27' ' ' LEU . 55.9 t -70.97 -39.94 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.31 88.18 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t -59.33 -43.92 92.67 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.698 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.42 ' OH ' ' HA ' ' D' ' 23' ' ' GLU . 6.9 t80 -61.46 -45.77 92.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.914 0.388 . . . . 0.0 110.516 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.39 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.406 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.59 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.35 68.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.135 0.493 . . . . 0.0 110.122 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.06 -44.22 26.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.459 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.18 -23.36 65.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.406 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.12 -49.76 72.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.213 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 tp -139.45 87.48 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.692 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.58 47.16 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.427 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' C' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.739 0.304 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.19 21.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.05 -146.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.727 ' HA ' ' HA ' ' D' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.52 47.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.477 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' TYR . . . . . 0.639 ' O ' ' HA ' ' D' ' 8' ' ' GLN . 65.7 m-85 -126.51 165.9 18.26 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.622 -177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.459 ' HB2' ' HA ' ' B' ' 48' ' ' ARG . 4.5 m-85 -114.84 127.53 55.77 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.868 -0.733 . . . . 0.0 109.853 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.792 HD13 ' CE1' ' D' ' 15' ' ' PHE . 0.3 OUTLIER -112.71 109.45 18.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.657 -178.094 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' ' 5' ' ' TYR . 0.3 OUTLIER -82.42 115.9 21.65 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.428 179.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.705 HG21 HD13 ' C' ' 18' ' ' LEU . 34.7 t -121.84 126.33 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.237 -178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.71 ' HA ' ' HA ' ' D' ' 4' ' ' THR . 4.4 tmt_? -96.64 137.69 35.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.131 0.491 . . . . 0.0 111.117 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLY . . . . . 0.488 ' N ' ' HD3' ' C' ' 10' ' ' ARG . . . 92.55 125.01 3.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.291 -0.957 . . . . 0.0 111.719 -179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' C' ' 12' ' ' ARG . 3.8 tpt180 -53.2 -48.46 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.23 -46.89 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.501 ' O ' HD12 ' C' ' 18' ' ' LEU . 2.0 m-20 -64.47 -46.04 84.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.059 0.457 . . . . 0.0 110.477 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' PHE . . . . . 0.801 ' CE1' HD13 ' D' ' 7' ' ' LEU . 13.6 t80 -58.05 -45.98 86.14 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.737 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.67 -44.7 95.58 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.42 HG12 HG12 ' B' ' 17' ' ' ILE . 1.1 mt -63.11 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' D' ' 18' ' ' LEU . 0.7 OUTLIER -73.15 -40.05 65.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.876 -179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' MET . . . . . 0.572 ' HA ' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.97 83.98 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' B' ' 17' ' ' ILE . 7.6 tmtm? -58.56 -39.21 79.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.957 HD13 HD13 ' A' ' 21' ' ' LEU . 1.9 tp -70.16 -38.95 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.146 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' C' ' 26' ' ' GLU . 1.9 tmtm? -54.18 -41.31 68.4 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.401 ' HA ' ' OH ' ' A' ' 39' ' ' TYR . 34.1 mt-10 -65.92 -44.22 85.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.113 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.53 ' HB2' ' C ' ' A' ' 24' ' ' SER . 90.8 p -61.89 -47.43 85.01 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.506 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' LEU . . . . . 0.448 ' CD1' HD11 ' C' ' 21' ' ' LEU . 8.1 mt -63.46 -45.86 88.89 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.675 0.274 . . . . 0.0 111.313 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' C' ' 22' ' ' LYS . 49.7 mm-40 -67.12 -43.9 81.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.319 . . . . 0.0 111.25 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' C' ' 30' ' ' LEU . 28.2 mt -65.35 -31.96 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.649 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' C' ' 28' ' ' MET . 20.7 ttm -55.65 -13.6 1.72 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.334 -0.946 . . . . 0.0 111.243 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' C' ' 26' ' ' GLU . 5.2 pt-20 -90.64 -24.13 20.59 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.118 -0.364 . . . . 0.0 111.947 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.916 HD21 HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -88.49 2.71 52.31 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.116 0.484 . . . . 0.0 111.226 -178.175 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.913 HG21 HD21 ' A' ' 30' ' ' LEU . 2.0 p -99.57 123.92 46.27 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.307 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.0 127.98 2.03 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.573 2.182 . . . . 0.0 112.319 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLN . . . . . 0.604 ' N ' ' HD2' ' C' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.73 78.91 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.533 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' C' ' 33' ' ' GLN . 14.9 Cg_endo -56.92 -30.26 85.29 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.13 1.887 . . . . 0.0 113.093 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.596 ' HG ' ' CD1' ' A' ' 30' ' ' LEU . 55.2 tp -77.36 -33.04 55.4 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.221 -179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -71.0 -39.99 75.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.602 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.31 -43.36 88.1 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.33 -43.94 92.66 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.705 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' TYR . . . . . 0.404 ' OH ' ' HA ' ' A' ' 23' ' ' GLU . 7.0 t80 -61.46 -45.73 93.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.94 0.4 . . . . 0.0 110.51 178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.4 -33.32 63.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.458 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.13 -45.6 80.52 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.91 -26.33 68.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -44.13 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.466 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.25 -23.32 65.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.09 -49.81 72.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.183 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 51.8 tp -139.46 87.47 2.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.665 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.54 47.09 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.461 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.465 ' HA ' ' HB2' ' B' ' 6' ' ' TYR . 97.3 mtt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.25 21.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.016 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.98 -145.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' C' ' 10' ' ' ARG . 0.2 OUTLIER -72.83 143.5 47.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.688 0.756 . . . . 0.0 110.435 179.405 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' TYR . . . . . 0.656 ' O ' ' HA ' ' C' ' 8' ' ' GLN . 65.7 m-85 -126.52 165.92 18.23 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.565 -177.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.463 ' HB2' ' HA ' ' A' ' 48' ' ' ARG . 4.5 m-85 -114.9 127.61 55.8 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.85 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.801 HD13 ' CE1' ' C' ' 15' ' ' PHE . 0.3 OUTLIER -112.8 109.45 18.93 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.656 -178.048 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.639 ' HA ' ' O ' ' C' ' 5' ' ' TYR . 0.3 OUTLIER -82.39 115.87 21.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.479 179.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' VAL . . . . . 0.688 HG21 HD13 ' D' ' 18' ' ' LEU . 34.5 t -121.83 126.38 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.173 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.727 ' HA ' ' HA ' ' C' ' 4' ' ' THR . 4.4 tmt_? -96.7 137.78 35.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.13 0.491 . . . . 0.0 111.075 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' GLY . . . . . 0.499 ' N ' ' HD3' ' D' ' 10' ' ' ARG . . . 92.43 125.02 3.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.718 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -53.18 -48.49 67.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.494 0.554 . . . . 0.0 112.494 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -54.33 -46.75 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.721 0.296 . . . . 0.0 111.739 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . 0.508 ' O ' HD12 ' D' ' 18' ' ' LEU . 2.0 m-20 -64.61 -45.94 84.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.517 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' PHE . . . . . 0.792 ' CE1' HD13 ' C' ' 7' ' ' LEU . 13.6 t80 -58.13 -45.9 86.55 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -62.7 -44.73 95.49 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ILE . . . . . 0.422 HG12 HG12 ' A' ' 17' ' ' ILE . 1.1 mt -63.05 -44.04 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . 0.782 HD23 HD23 ' C' ' 18' ' ' LEU . 0.7 OUTLIER -73.07 -40.12 65.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.888 -179.753 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' MET . . . . . 0.553 ' HA ' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -60.98 -47.86 84.49 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' LYS . . . . . 0.404 ' HB3' HD13 ' A' ' 17' ' ' ILE . 7.6 tmtm? -58.63 -39.21 79.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' LEU . . . . . 0.972 HD13 HD13 ' B' ' 21' ' ' LEU . 1.9 tp -70.18 -38.91 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.133 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' D' ' 26' ' ' GLU . 1.9 tmtm? -54.26 -41.3 68.63 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . 0.42 ' HA ' ' OH ' ' B' ' 39' ' ' TYR . 34.0 mt-10 -65.86 -44.2 86.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.135 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' SER . . . . . 0.533 ' C ' ' HB2' ' B' ' 24' ' ' SER . 90.4 p -61.94 -47.51 84.56 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.504 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' LEU . . . . . 0.452 ' CD1' HD11 ' D' ' 21' ' ' LEU . 8.1 mt -63.35 -45.86 89.28 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.618 0.247 . . . . 0.0 111.325 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' D' ' 22' ' ' LYS . 49.2 mm-40 -67.12 -43.91 81.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.813 0.34 . . . . 0.0 111.286 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' D' ' 30' ' ' LEU . 28.0 mt -65.31 -32.04 73.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.624 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . 0.417 ' HG3' HD13 ' B' ' 27' ' ' LEU . 20.3 ttm -55.59 -13.62 1.69 Allowed 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 119.286 -0.966 . . . . 0.0 111.34 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' D' ' 26' ' ' GLU . 5.2 pt-20 -90.66 -24.08 20.58 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.933 HD21 HG21 ' B' ' 31' ' ' VAL . 0.3 OUTLIER -88.53 2.74 52.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.139 0.495 . . . . 0.0 111.25 -178.141 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . 0.925 HG21 HD21 ' B' ' 30' ' ' LEU . 2.0 p -99.58 123.88 46.41 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.313 178.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -39.89 127.97 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.545 2.164 . . . . 0.0 112.374 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' D' ' 34' ' ' PRO . 9.5 tt0 -50.15 -48.74 78.89 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.502 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' D' ' 33' ' ' GLN . 14.9 Cg_endo -56.97 -30.2 85.42 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.172 1.915 . . . . 0.0 113.053 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' LEU . . . . . 0.597 ' HG ' ' CD1' ' B' ' 30' ' ' LEU . 55.3 tp -77.46 -33.02 54.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.199 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.414 HG13 HD11 ' B' ' 27' ' ' LEU . 55.9 t -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.33 -43.34 88.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' SER . . . . . . . . . . . . . 43.2 t -59.34 -43.94 92.7 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.691 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' TYR . . . . . 0.414 ' OH ' ' HA ' ' B' ' 23' ' ' GLU . 7.0 t80 -61.38 -45.83 92.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.39 . . . . 0.0 110.526 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -55.33 -33.43 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.428 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.07 -45.6 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -63.88 -26.3 68.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.11 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.18 -44.19 26.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.458 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -61.17 -23.36 65.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.14 -49.74 73.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.225 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 51.5 tp -139.52 87.43 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.52 47.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.46 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' HB2' ' A' ' 6' ' ' TYR . 97.4 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 stop_ save_