data_2nd2_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 2nd2 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.81 -0.441 . . . . 73.44 109.81 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 72.31 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD12 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 74.52 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 71.52 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 74.43 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 61.22 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 74.43 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 74.34 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 74.14 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 72.11 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 74.12 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 72.23 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 74.13 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.51 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 60.51 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 75.23 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 74.23 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.41 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.12 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 73.44 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 75.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 112.856 0.687 . . . . 73.51 112.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 71.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 73.21 111.604 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 73.41 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 75.21 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.54 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.33 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 74.24 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 63.34 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.641 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 72.53 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 71.12 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.35 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.15 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.503 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 71.52 110.764 177.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 75.05 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 51.45 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 74.42 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 74.14 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.31 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 74.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 6' ' ' LEU . 5.9 t . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.638 0.256 . . . . 74.15 110.482 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 73.55 110.682 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 3' ' ' CYS . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 72.34 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 65.01 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.616 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.41 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 73.2 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 75.3 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 71.32 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 74.45 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 73.5 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.616 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 74.31 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 72.4 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 73.21 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 74.05 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 75.51 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.563 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 74.52 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.31 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.44 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 73.15 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 71.31 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.497 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 72.34 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 72.53 111.341 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 74.32 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 72.44 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 75.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 74.2 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.33 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 75.12 109.079 174.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.547 0.213 . . . . 72.14 110.647 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 70.23 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 72.13 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 74.13 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.5 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.61 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.34 112.126 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.5 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 72.21 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 71.53 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 73.42 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 53.11 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 72.23 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 75.42 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 54.21 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 74.34 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 74.55 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 74.33 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 75.54 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 74.44 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 65.13 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.556 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 75.02 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.751 0.649 . . . . 65.32 112.751 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 74.12 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.22 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 71.53 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 74.0 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 64.11 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.659 ' HE3' ' SG ' ' A' ' 19' ' ' CYS . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.659 ' SG ' ' HE3' ' A' ' 15' ' ' MET . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HA ' HD12 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 75.33 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 74.44 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.51 ' HE2' ' HB3' ' A' ' 34' ' ' ASP . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 73.05 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 70.33 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.51 ' HB3' ' HE2' ' A' ' 26' ' ' MET . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.487 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 75.44 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 74.2 109.678 -178.682 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 112.728 0.64 . . . . 74.23 112.728 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 74.14 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 74.22 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 65.33 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 74.13 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 74.21 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 70.34 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 75.33 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 73.13 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 71.53 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 74.11 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 71.24 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 74.15 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 74.4 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 74.11 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 75.42 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 73.51 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 72.02 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.43 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.32 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.448 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 73.31 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 75.04 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 73.04 110.57 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.505 0.928 . . . . 65.21 113.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 74.52 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.15 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 72.1 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 74.12 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 71.04 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.644 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.451 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 75.15 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 73.52 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 73.31 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 72.45 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 75.3 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 73.02 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 74.11 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 73.22 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 72.04 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.12 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.512 ' HA ' ' ND2' ' A' ' 41' ' ' ASN . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 62.14 110.206 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' ND2' ' HA ' ' A' ' 38' ' ' MET . 10.5 p30 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 73.54 110.837 168.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.985 0.735 . . . . 74.52 112.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 74.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 73.33 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HZ2' ' HG3' ' A' ' 4' ' ' GLU . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 74.41 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 63.21 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 63.24 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 74.54 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 73.53 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.747 ' HE2' ' HB3' ' A' ' 39' ' ' ALA . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 75.32 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 75.44 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 74.44 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 74.44 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' HZ2' ' A' ' 25' ' ' LYS . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.522 ' HE2' ' HG3' ' A' ' 38' ' ' MET . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HB2' HD12 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 65.25 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 75.33 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 72.31 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 72.0 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.522 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 74.52 111.221 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.747 ' HB3' ' HE2' ' A' ' 15' ' ' MET . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 74.11 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.728 0.299 . . . . 74.33 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 71.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 73.21 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 70.4 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 74.45 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 15' ' ' MET . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 73.25 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.25 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HE21 ' A' ' 21' ' ' GLN . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.529 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 63.24 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.4 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 75.32 110.654 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 74.23 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 75.12 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.508 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 73.34 110.746 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.22 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 74.14 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 72.02 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.44 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 75.01 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 70.24 110.829 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 65.14 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 71.31 109.609 165.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.815 0.302 . . . . 72.22 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 73.53 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 74.11 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 71.54 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' ARG . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 74.52 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 75.14 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 73.53 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' HD11 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 72.35 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 73.31 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 73.13 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.14 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.31 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 74.43 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.11 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 73.53 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 74.21 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 74.34 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 64.44 110.601 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.485 ' HE2' HD22 ' A' ' 41' ' ' ASN . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 73.51 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.485 HD22 ' HE2' ' A' ' 38' ' ' MET . 6.7 p30 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 65.34 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 75.32 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 75.12 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 74.42 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 75.12 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 74.32 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 62.3 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.486 ' HB3' HD23 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 72.55 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 75.44 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 75.11 110.84 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.528 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 73.31 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 38' ' ' MET . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.459 ' HB2' HD21 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 72.03 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 75.02 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 72.22 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 74.44 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 74.4 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 73.01 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.466 ' HG3' ' HE3' ' A' ' 26' ' ' MET . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 73.13 111.739 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 75.41 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 73.11 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 111.844 0.312 . . . . 71.43 111.844 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 73.13 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 72.42 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 62.03 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.42 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 70.15 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 71.32 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' HE3' ' A' ' 15' ' ' MET . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 74.15 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 64.42 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 73.14 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.511 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 75.45 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 70.51 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 74.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 72.52 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 75.43 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 74.21 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 74.12 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 72.33 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 74.21 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 74.21 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 72.12 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.483 -0.294 . . . . 73.51 110.72 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 72.15 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 73.24 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 74.43 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 20' ' ' ARG . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 72.33 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 54.21 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 72.11 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 74.33 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.538 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 75.04 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HA ' HD11 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.53 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 73.32 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 72.25 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 74.1 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 63.21 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 73.33 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 75.31 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 73.15 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.434 ' HA ' HD21 ' A' ' 41' ' ' ASN . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 65.0 111.13 175.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.53 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 75.43 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 38' ' ' MET . 67.4 m-80 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 73.43 113.597 -173.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.64 -0.504 . . . . 70.33 109.64 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 74.05 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 74.23 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.32 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 74.14 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 71.5 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.724 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 72.52 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.724 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.24 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.21 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 71.02 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.457 ' HE1' ' HG3' ' A' ' 38' ' ' MET . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 74.22 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 75.45 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 71.25 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.457 ' HG3' ' HE1' ' A' ' 26' ' ' MET . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.23 110.526 176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 61.31 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.053 0.39 . . . . 72.22 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 73.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 65.35 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 74.42 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 71.1 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 73.15 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 73.04 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 75.13 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 74.22 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.585 ' HE3' ' HB3' ' A' ' 34' ' ' ASP . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 72.11 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 64.54 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 75.35 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 73.33 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 74.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HE3' ' A' ' 26' ' ' MET . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 64.35 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.441 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 74.43 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.281 -0.266 . . . . 65.32 110.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 70.34 109.706 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 74.1 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 72.12 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 64.32 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 74.14 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 73.14 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.459 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.51 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.31 110.178 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 73.14 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.506 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.6 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 75.5 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 65.42 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 73.04 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 61.23 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 75.2 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 64.45 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 72.52 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 74.42 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 65.44 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 55.0 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 74.21 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 74.22 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.503 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.188 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 61.24 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 73.43 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.3 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 73.35 108.214 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.389 -0.339 . . . . 71.12 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 72.42 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 72.04 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 74.13 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 75.35 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 71.33 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 74.12 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 75.54 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 74.21 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.475 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.591 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 74.0 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 74.55 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 63.13 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' HD21 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 74.12 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 74.45 110.463 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 73.55 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.47 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 74.31 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 75.31 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 74.23 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.444 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.52 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 72.31 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB1' ' HE3' ' A' ' 15' ' ' MET . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 74.42 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 75.02 113.272 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 73.04 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 73.22 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 73.23 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 75.31 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 72.3 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD23 ' HE2' ' A' ' 15' ' ' MET . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.44 110.514 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 63.52 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.405 ' HE2' HD23 ' A' ' 13' ' ' LEU . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 74.12 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 75.35 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 72.2 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 75.13 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.43 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 73.11 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 74.1 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 26' ' ' MET . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 74.02 110.576 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HB2' HD11 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 71.44 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 64.42 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 63.32 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 74.53 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 73.41 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 0.9 OUTLIER -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.691 0.281 . . . . 74.34 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 73.11 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 75.42 111.575 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 74.21 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 74.05 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' A' ' 19' ' ' CYS . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 64.04 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 75.41 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 73.43 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 74.33 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 74.11 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 75.13 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 63.44 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 75.32 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.42 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.51 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.43 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 73.03 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 74.04 111.281 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 75.54 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 74.24 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.448 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 72.1 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.412 HD21 ' HE2' ' A' ' 38' ' ' MET . 77.9 m-20 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.402 -0.332 . . . . 74.43 111.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 74.45 111.534 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 70.02 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.5 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 74.12 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 72.01 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 71.13 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 64.33 111.713 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 72.21 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 73.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.659 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 72.31 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 74.55 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 72.03 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 73.15 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' O ' HD21 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 73.33 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 73.23 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.593 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 73.41 111.802 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 75.0 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 75.0 110.593 176.58 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 118.809 -0.615 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.38 -63.41 0.3 Allowed 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.786 2.991 . . . . 74.34 114.353 -166.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t -148.34 25.67 0.98 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.064 0.546 . . . . 73.44 109.81 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 72.31 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD12 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 74.52 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 71.52 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 74.43 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 61.22 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 74.43 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 74.34 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 74.14 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 72.11 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 74.12 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 72.23 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 74.13 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.642 ' SG ' HD12 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.51 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 60.51 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 75.23 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 74.23 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.41 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.12 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 73.44 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 75.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 75.14 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.21 -56.14 9.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -124.11 -67.91 0.9 Allowed 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.78 -0.646 . . . . 72.32 110.571 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.26 1.618 0 CA-C-O 118.519 -0.753 . . . . 73.24 110.135 -175.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 119.284 -0.388 . . . . 72.11 109.997 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.95 100.85 0.17 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 123.025 2.483 . . . . 74.44 112.942 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.2 m 66.01 6.19 3.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.364 1.466 . . . . 73.51 112.856 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 71.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 73.21 111.604 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 73.41 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 75.21 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.54 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.33 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 74.24 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 63.34 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.641 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 72.53 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 71.12 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.35 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.15 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.503 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 71.52 110.764 177.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 75.05 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 51.45 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 74.42 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 74.14 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.31 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 74.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t -66.88 -56.65 9.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.56 -59.62 0.3 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 107.499 -1.297 . . . . 74.13 107.499 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.255 1.381 0 CA-C-N 115.103 -0.953 . . . . 64.11 109.878 175.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.694 -0.484 . . . . 73.13 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -67.83 -58.66 0.12 Allowed 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.305 2.004 . . . . 61.14 112.71 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' HD22 ' A' ' 6' ' ' LEU . 5.9 t -146.2 17.91 1.38 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.109 0.564 . . . . 74.15 110.482 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 73.55 110.682 -177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 3' ' ' CYS . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 72.34 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 65.01 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.616 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.41 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 73.2 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 75.3 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 71.32 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 74.45 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 73.5 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.616 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 74.31 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 72.4 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 73.21 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 74.05 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 75.51 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.563 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 74.52 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.31 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.44 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 73.15 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 71.31 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.497 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 72.34 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 72.53 111.341 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 74.32 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 72.44 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 75.0 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 74.2 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.33 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.96 -65.5 0.87 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 75.12 109.079 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.15 -61.98 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.85 0.86 . . . . 75.4 109.446 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.82 0.848 . . . . 75.43 110.048 -172.604 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.033 -0.729 . . . . 73.12 109.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.62 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.417 2.078 . . . . 72.51 113.326 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m -134.64 28.3 3.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.217 0.607 . . . . 72.14 110.647 -173.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 70.23 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 72.13 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 74.13 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.5 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.61 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.34 112.126 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.5 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 72.21 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 71.53 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 73.42 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 53.11 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 72.23 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 75.42 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 54.21 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 74.34 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 74.55 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 74.33 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 75.54 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 74.44 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 65.13 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.556 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 75.02 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -61.84 -47.98 82.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -106.25 -57.76 2.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.083 -0.962 . . . . 70.23 109.785 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.311 0 CA-C-N 115.062 -0.972 . . . . 73.22 109.53 -174.627 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.915 -0.402 . . . . 71.41 109.915 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.62 98.03 0.74 Allowed 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.843 2.362 . . . . 75.2 112.818 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m 66.49 4.82 3.46 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.156 1.382 . . . . 65.32 112.751 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 74.12 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.22 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 71.53 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 74.0 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 64.11 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.659 ' HE3' ' SG ' ' A' ' 19' ' ' CYS . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.659 ' SG ' ' HE3' ' A' ' 15' ' ' MET . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.615 ' HA ' HD12 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 75.33 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 74.44 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.51 ' HE2' ' HB3' ' A' ' 34' ' ' ASP . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 73.05 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 70.33 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.51 ' HB3' ' HE2' ' A' ' 26' ' ' MET . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.487 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 75.44 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t -93.87 -82.64 0.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 74.2 109.678 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.97 4.25 0.18 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.61 1.164 . . . . 63.41 110.268 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 124.295 1.038 . . . . 71.33 109.672 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.25 0 CA-C-O 119.565 -0.255 . . . . 60.15 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -65.14 93.43 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.183 2.589 . . . . 71.14 113.116 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t 65.87 7.34 4.54 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 124.964 1.306 . . . . 74.23 112.728 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 74.14 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD12 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 74.22 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 65.33 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 74.13 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 74.21 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 70.34 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 75.33 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 73.13 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 71.53 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 74.11 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 71.24 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 74.15 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 74.4 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 74.11 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 75.42 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 73.51 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 72.02 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.43 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.32 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.448 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 73.31 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 75.04 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.28 -32.61 26.29 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 73.04 110.57 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -22.15 4.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.23 1.012 . . . . 75.14 110.369 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 123.978 0.911 . . . . 71.45 109.591 174.671 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.504 -0.554 . . . . 63.12 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -78.76 82.75 2.41 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.923 2.416 . . . . 72.54 111.468 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m 62.17 13.98 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.745 1.218 . . . . 65.21 113.505 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 74.52 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.15 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 72.1 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 74.12 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 71.04 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.644 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.451 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 75.15 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 73.52 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 73.31 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 72.45 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 75.3 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 73.02 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 74.11 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 73.22 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 72.04 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.12 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.512 ' HA ' ' ND2' ' A' ' 41' ' ' ASN . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 62.14 110.206 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' ND2' ' HA ' ' A' ' 38' ' ' MET . 10.5 p30 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 73.54 110.837 168.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t -96.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 15' ' ' MET . 1.0 OUTLIER -101.91 -36.89 8.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 119.619 -0.229 . . . . 75.5 111.297 -176.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.958 -0.544 . . . . 74.13 109.83 178.384 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 118.643 -0.694 . . . . 71.24 109.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.27 96.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 123.435 2.757 . . . . 74.03 112.699 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m 64.63 6.24 3.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.562 1.545 . . . . 74.52 112.985 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 74.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 73.33 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HZ2' ' HG3' ' A' ' 4' ' ' GLU . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 74.41 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 63.21 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 63.24 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 74.54 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 73.53 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.747 ' HE2' ' HB3' ' A' ' 39' ' ' ALA . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 75.32 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 75.44 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 74.44 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 74.44 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' HZ2' ' A' ' 25' ' ' LYS . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.522 ' HE2' ' HG3' ' A' ' 38' ' ' MET . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HB2' HD12 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 65.25 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 75.33 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 72.31 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 72.0 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.522 ' HG3' ' HE2' ' A' ' 26' ' ' MET . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 74.52 111.221 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.747 ' HB3' ' HE2' ' A' ' 15' ' ' MET . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.679 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 74.11 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.92 -58.92 4.88 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -178.51 -42.0 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.961 -1.018 . . . . 73.25 108.649 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.679 ' HB2' ' HA ' ' A' ' 40' ' ' ARG . 20.9 t . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.402 -1.272 . . . . 74.23 109.135 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.728 -0.471 . . . . 74.33 109.728 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -47.34 3.29 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.281 1.988 . . . . 63.25 113.316 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t -152.02 16.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.667 0.387 . . . . 74.33 111.04 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 71.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 73.21 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 70.4 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 74.45 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 15' ' ' MET . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 73.25 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 44' ' ' SER . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.581 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.25 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' HG2' HE21 ' A' ' 21' ' ' GLN . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.529 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 63.24 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.4 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 75.32 110.654 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 74.23 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 75.12 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.508 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 73.34 110.746 177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.22 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 74.14 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 72.02 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.44 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 75.01 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 70.24 110.829 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 65.14 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -91.06 24.29 2.89 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 71.31 109.609 165.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.17 15.9 9.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.872 1.669 . . . . 73.21 113.032 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.472 ' HB3' HD11 ' A' ' 13' ' ' LEU . 13.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 123.375 0.67 . . . . 54.12 110.959 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 119.571 -0.252 . . . . 75.34 110.428 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.85 -31.34 57.47 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 123.235 2.624 . . . . 62.31 114.862 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -143.62 -4.2 0.87 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.271 0.487 . . . . 72.22 111.815 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 1' ' ' ALA . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 73.53 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.555 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 74.11 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 71.54 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' ARG . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 74.52 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 75.14 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 73.53 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' HD11 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 72.35 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 73.31 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 73.13 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.14 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.31 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 74.43 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.11 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 73.53 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 74.21 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 74.34 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 64.44 110.601 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.485 ' HE2' HD22 ' A' ' 41' ' ' ASN . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 73.51 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.485 HD22 ' HE2' ' A' ' 38' ' ' MET . 6.7 p30 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.45 -52.23 5.99 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -97.07 -36.03 10.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.797 0.839 . . . . 65.41 110.421 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.903 0 C-N-CA 123.627 0.771 . . . . 64.52 109.385 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.148 -0.453 . . . . 74.32 110.098 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 -63.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.88 2.386 . . . . 75.14 113.473 -173.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.57 17.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 65.34 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 75.32 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 75.12 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 74.42 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 75.12 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 74.32 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 62.3 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.486 ' HB3' HD23 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 72.55 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 75.44 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 75.11 110.84 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 73.31 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 38' ' ' MET . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.459 ' HB2' HD21 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 72.03 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 75.02 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 72.22 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 74.44 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 74.4 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 73.01 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.466 ' HG3' ' HE3' ' A' ' 26' ' ' MET . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 73.13 111.739 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 75.41 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 73.11 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.31 -37.0 80.16 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.47 -55.2 0.07 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 123.879 0.737 . . . . 62.44 109.124 -172.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.251 1.16 0 CA-C-N 114.799 -1.091 . . . . 73.35 109.294 174.243 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 109.45 -0.574 . . . . 75.0 109.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.09 78.49 1.45 Allowed 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.954 2.436 . . . . 74.01 113.175 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t 65.33 20.54 11.85 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.702 1.201 . . . . 71.43 111.844 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 73.13 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 72.42 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 62.03 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.42 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 70.15 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 71.32 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.69 HD22 ' HB2' ' A' ' 43' ' ' GLU . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 74.15 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 64.42 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 73.14 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.511 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 75.45 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 70.51 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 74.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 72.52 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 75.43 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 74.21 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 74.12 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.599 ' HB2' HD13 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 72.33 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 74.21 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 74.21 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 72.12 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t -64.53 -63.26 1.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.69 ' HB2' HD22 ' A' ' 13' ' ' LEU . 20.6 mm-40 -130.13 -75.65 0.54 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.443 0.697 . . . . 73.21 109.68 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.654 -0.689 . . . . 75.14 110.612 -168.452 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.538 -0.171 . . . . 60.23 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -70.71 -71.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 123.209 2.606 . . . . 74.03 111.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -119.81 11.81 11.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.79 0.836 . . . . 73.51 110.72 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 72.15 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 73.24 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 74.43 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 20' ' ' ARG . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 72.33 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 54.21 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 72.11 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 74.33 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.538 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 75.04 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HA ' HD11 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.53 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 73.32 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 72.25 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 74.1 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 63.21 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 73.33 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 75.31 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 73.15 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.434 ' HA ' HD21 ' A' ' 41' ' ' ASN . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 65.0 111.13 175.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.53 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 75.43 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 38' ' ' MET . 67.4 m-80 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 73.43 113.597 -173.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.89 -36.39 78.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -101.21 -48.06 4.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.739 0.816 . . . . 74.42 110.087 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.554 1.132 0 C-N-CA 124.787 1.235 . . . . 74.02 109.49 177.479 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.017 -0.516 . . . . 74.14 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.63 -69.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.424 2.083 . . . . 74.54 112.554 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.06 27.25 2.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.85 0.86 . . . . 70.33 109.64 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 74.05 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 74.23 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.32 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.705 HD23 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 74.14 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 71.5 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.724 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 72.52 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.724 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.24 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.21 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HB3' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 71.02 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.457 ' HE1' ' HG3' ' A' ' 38' ' ' MET . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 74.22 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 75.45 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 71.25 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.457 ' HG3' ' HE1' ' A' ' 26' ' ' MET . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.23 110.526 176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 61.31 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t -62.67 -72.65 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.91 26.89 2.03 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.436 0.694 . . . . 72.54 111.624 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.513 -0.756 . . . . 63.24 109.067 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.61 -0.515 . . . . 72.24 109.61 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.99 58.14 6.41 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.309 2.673 . . . . 65.33 113.249 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t 65.04 27.87 12.5 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.815 1.246 . . . . 72.22 112.053 172.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 73.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 65.35 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 74.42 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 71.1 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 73.15 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 73.04 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 75.13 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 74.22 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.585 ' HE3' ' HB3' ' A' ' 34' ' ' ASP . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 72.11 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 64.54 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 75.35 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 73.33 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 74.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HE3' ' A' ' 26' ' ' MET . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 64.35 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 74.43 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -93.85 -72.96 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -118.75 -72.7 0.67 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.028 0.931 . . . . 75.03 109.95 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 CA--C 1.559 1.32 0 C-N-CA 124.191 0.996 . . . . 74.45 108.988 -175.63 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.721 -0.474 . . . . 60.34 109.721 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -60.33 -50.35 7.31 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.937 2.425 . . . . 74.11 113.059 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t -148.21 7.07 0.79 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.09 0.556 . . . . 65.32 110.281 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 70.34 109.706 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 74.1 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 72.12 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 64.32 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 74.14 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 73.14 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.546 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.51 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.31 110.178 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 73.14 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.506 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.6 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 75.5 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 65.42 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.691 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 73.04 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 61.23 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 75.2 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 64.45 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 72.52 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 74.42 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 65.44 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 55.0 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 74.21 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 74.22 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.503 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.188 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 61.24 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 73.43 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.3 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t -80.26 -78.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 73.35 108.214 174.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 38.04 88.57 0.01 OUTLIER 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.48 1.512 . . . . 55.52 112.615 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 15' ' ' MET . 15.4 t . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.361 1.464 . . . . 73.3 109.547 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 118.786 -0.626 . . . . 62.43 109.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -66.74 -63.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.935 2.423 . . . . 74.54 113.146 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -142.11 19.36 2.1 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.61 0.764 . . . . 71.12 110.367 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 72.42 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 72.04 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 74.13 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 75.35 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 71.33 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 74.12 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 75.54 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 74.21 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.591 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 74.0 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 74.55 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 63.13 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' HD21 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 74.12 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 74.45 110.463 171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 73.55 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.47 ' HA ' ' HE3' ' A' ' 26' ' ' MET . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 74.31 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 75.31 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 74.23 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.444 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.52 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 72.31 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB1' ' HE3' ' A' ' 15' ' ' MET . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 74.42 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.3 -54.32 5.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.24 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.759 1.224 . . . . 72.2 111.072 -170.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 125.572 1.549 . . . . 72.42 108.374 -179.112 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 109.68 -0.489 . . . . 61.14 109.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -40.24 5.63 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.516 2.144 . . . . 74.45 113.026 -172.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -110.91 -13.52 14.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 75.02 113.272 -171.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 73.04 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 73.22 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 73.23 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 75.31 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 72.3 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD23 ' HE2' ' A' ' 15' ' ' MET . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.44 110.514 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 63.52 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.405 ' HE2' HD23 ' A' ' 13' ' ' LEU . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 74.12 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 75.35 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 72.2 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 75.13 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.698 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.43 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 73.11 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 74.1 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 26' ' ' MET . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 74.02 110.576 176.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.448 ' HB2' HD11 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 71.44 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 64.42 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 63.32 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 74.53 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 73.41 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 0.9 OUTLIER -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -55.86 -47.12 77.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 -45.9 0.09 Allowed 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.493 0.496 . . . . 74.44 110.891 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.564 1.501 0 C-N-CA 123.923 0.889 . . . . 74.32 111.723 -174.026 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.196 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.71 -65.37 0.18 Allowed 'Trans proline' 0 C--N 1.393 2.888 0 C-N-CA 123.832 3.021 . . . . 70.43 114.637 -176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m -139.84 31.78 2.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.041 0.936 . . . . 74.34 110.814 -172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 73.11 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 75.42 111.575 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 74.21 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 74.05 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.708 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 64.04 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 75.41 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 73.43 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 74.33 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 74.11 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 75.13 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 63.44 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 75.32 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.42 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.51 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.43 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 73.03 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 74.04 111.281 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 75.54 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 74.24 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.448 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 72.1 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.412 HD21 ' HE2' ' A' ' 38' ' ' MET . 77.9 m-20 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t -94.82 -66.69 0.9 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.86 67.72 0.92 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.728 1.211 . . . . 75.23 112.815 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.708 ' HB2' ' HA ' ' A' ' 15' ' ' MET . 12.8 m . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.373 -0.602 . . . . 65.11 109.373 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.535 -0.543 . . . . 74.24 109.535 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.99 88.02 0.18 Allowed 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.367 2.711 . . . . 74.54 112.168 -172.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 78.99 -21.52 0.33 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.737 2.015 . . . . 74.43 111.841 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 1' ' ' ALA . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 74.45 111.534 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 70.02 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.5 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 74.12 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 72.01 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 71.13 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 64.33 111.713 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 72.21 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 73.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.659 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 72.31 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 74.55 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 72.03 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 73.15 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' O ' HD21 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 73.33 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 73.23 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.593 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 73.41 111.802 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 75.0 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.48 -62.34 1.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 75.0 110.593 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.43 -50.64 0.02 OUTLIER 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.419 -0.956 . . . . 75.01 108.419 -167.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HB3' ' HG ' ' A' ' 13' ' ' LEU . 18.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.917 -1.492 . . . . 75.32 110.45 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.81 -0.441 . . . . 73.44 109.81 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 65.32 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 73.4 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 63.12 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 72.32 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 50.33 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 63.45 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 64.01 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 64.34 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 65.33 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 73.32 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 39' ' ' ALA . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 64.12 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 71.42 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.648 ' SG ' HD13 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.11 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 53.34 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 65.42 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 72.25 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.34 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.03 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 64.24 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 72.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 50.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 112.856 0.687 . . . . 73.51 112.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 64.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 72.1 111.604 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 72.34 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 72.23 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.51 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.14 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 73.32 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 62.31 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 71.54 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.723 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 63.24 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.21 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.02 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 61.35 110.764 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 64.44 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 44.31 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 70.22 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 61.34 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.24 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 40.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.638 0.256 . . . . 74.15 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 61.13 110.682 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 71.52 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 63.23 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.33 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 65.43 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 74.33 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 51.34 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 60.34 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.618 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 64.44 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 61.43 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 70.23 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 50.13 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 73.35 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 65.14 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 53.24 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.24 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.22 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 72.21 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 52.15 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.519 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 70.32 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 32' ' ' SER . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 42.31 111.341 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 72.13 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 52.13 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 73.4 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 54.31 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.23 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 74.53 109.079 174.856 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.547 0.213 . . . . 72.14 110.647 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 61.43 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 65.32 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 55.21 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.1 112.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 41.42 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.444 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 62.33 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 71.03 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 52.43 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 64.02 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 74.31 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 32.12 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 71.42 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 61.0 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 72.31 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 73.43 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 70.21 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 33.02 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 71.15 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.751 0.649 . . . . 65.32 112.751 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 52.23 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.01 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 64.12 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 72.5 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 63.12 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.576 ' SD ' HD22 ' A' ' 10' ' ' LEU . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.641 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 72.04 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 73.43 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 63.11 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 65.25 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 73.15 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 51.41 109.678 -178.682 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 112.728 0.64 . . . . 72.51 112.728 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 73.34 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 73.21 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 62.03 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 60.44 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 72.44 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 45.21 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 51.34 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 64.53 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 61.32 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 62.32 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 53.5 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 73.23 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 55.32 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 63.5 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 74.12 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 72.24 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 55.23 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.31 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.21 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 43.21 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 70.31 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 61.32 110.57 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.505 0.928 . . . . 52.25 113.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 65.43 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.03 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 64.23 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 71.53 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 64.31 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.447 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 73.22 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 42.03 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 64.44 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 64.34 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 63.21 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 54.13 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 72.42 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 52.54 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 65.55 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.02 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 61.21 110.206 173.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 71.21 110.837 168.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.985 0.735 . . . . 74.52 112.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 72.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 61.32 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 64.32 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 55.23 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 43.41 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 54.1 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 64.3 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 65.34 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.543 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 61.05 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 64.15 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 73.52 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' HB2' HD13 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 61.53 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 74.14 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 45.13 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 71.04 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 71.01 111.221 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 71.22 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.728 0.299 . . . . 73.31 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 53.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 72.14 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 65.21 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 72.41 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 64.35 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.417 ' SD ' HD12 ' A' ' 23' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.12 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 55.31 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 71.03 110.654 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 61.25 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 74.21 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 72.43 110.746 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.04 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 72.12 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 71.42 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.3 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 64.35 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 64.41 110.829 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 64.43 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 52.21 109.609 165.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.815 0.302 . . . . 63.31 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 64.23 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 63.23 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 32.32 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD22 ' HE1' ' A' ' 15' ' ' MET . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 73.42 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 64.42 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 64.2 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.495 ' HE1' HD22 ' A' ' 10' ' ' LEU . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 55.03 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 70.42 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 70.52 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.0 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.22 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 71.41 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.01 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 71.44 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 72.14 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 62.51 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 53.22 110.601 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 63.42 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 64.52 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 72.02 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 62.32 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 72.51 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 73.22 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 73.31 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 45.24 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HB3' HD22 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 64.35 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 64.24 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 62.24 110.84 174.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 71.23 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.442 ' HB2' HD22 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 70.32 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 62.33 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 41.04 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 72.43 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.24 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 70.51 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 64.21 111.739 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 64.13 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 50.15 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 111.844 0.312 . . . . 71.43 111.844 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 71.33 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 62.24 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 52.32 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.13 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 64.31 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 63.43 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 72.14 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 62.12 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 71.0 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 73.51 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 64.33 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 65.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 70.2 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 64.21 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 72.3 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 55.34 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 62.11 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 73.43 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 70.45 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 71.0 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.483 -0.294 . . . . 72.31 110.72 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 63.44 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 71.01 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 62.41 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' ' 15' ' ' MET . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 60.32 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 51.01 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 60.23 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 72.35 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 63.22 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' HD13 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.41 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 64.03 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 71.03 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 70.32 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 41.54 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 64.41 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 62.33 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 45.24 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 62.41 111.13 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.44 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 71.31 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 64.22 113.597 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.64 -0.504 . . . . 70.33 109.64 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 64.43 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 64.43 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.22 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 72.31 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 54.33 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 65.3 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.736 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.22 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.11 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 53.54 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 72.03 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 61.52 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 70.2 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.03 110.526 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 33.52 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.053 0.39 . . . . 72.22 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 63.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 60.23 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 73.22 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 54.44 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 51.32 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 71.02 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 64.4 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 72.44 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 71.32 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 60.53 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 71.05 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 61.0 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 51.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 53.44 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 71.02 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.281 -0.266 . . . . 63.14 110.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 51.43 109.706 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 72.25 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 71.22 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 61.5 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 71.15 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 50.0 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.464 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.34 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.05 110.178 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.584 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 54.52 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 73.43 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 64.05 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 72.51 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 55.22 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 74.13 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 42.34 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 51.53 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' HD13 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 63.21 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 41.43 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 41.53 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 72.42 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 65.4 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 72.43 110.188 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 35.25 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 72.2 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.25 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 62.34 108.214 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.389 -0.339 . . . . 51.35 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 70.41 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 71.54 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 64.4 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 74.2 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 65.54 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 51.32 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 73.32 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 70.0 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.588 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 64.34 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 54.5 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 61.52 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' HD22 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 73.33 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' MET . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 54.23 110.463 171.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 65.43 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 64.33 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 63.13 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 70.35 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.1 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 71.33 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 65.43 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 72.1 113.272 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 63.21 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 72.32 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 60.13 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 74.25 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 65.22 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.11 110.514 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 50.23 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 73.1 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 73.34 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 71.04 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 70.2 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.12 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 61.33 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 73.35 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 63.45 110.576 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HB2' HD13 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 53.21 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 53.01 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 62.51 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 72.31 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.542 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 72.52 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 4.3 m-20 -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.691 0.281 . . . . 73.42 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 61.23 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 71.11 111.575 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 23' ' ' LEU . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 73.13 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 64.23 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.421 ' HG2' ' HB2' ' A' ' 19' ' ' CYS . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 61.14 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 74.52 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 71.54 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 62.32 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 64.34 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 62.4 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 61.41 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 64.22 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.13 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.43 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.32 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 70.31 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 43.01 111.281 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 70.1 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 61.22 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 55.44 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.402 -0.332 . . . . 73.11 111.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 72.11 111.534 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 55.01 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.21 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 73.03 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 62.24 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 53.34 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 61.2 111.713 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 55.34 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 71.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.674 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 64.44 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 70.24 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 71.0 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 72.24 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 63.04 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 65.11 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 63.55 111.802 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 73.23 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 62.51 110.593 176.58 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 118.809 -0.615 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.38 -63.41 0.3 Allowed 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.786 2.991 . . . . 62.04 114.353 -166.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t -148.34 25.67 0.98 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.064 0.546 . . . . 73.44 109.81 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 65.32 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 73.4 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 63.12 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 72.32 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 50.33 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 63.45 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 64.01 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 64.34 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 65.33 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 73.32 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 39' ' ' ALA . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 64.12 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 71.42 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.648 ' SG ' HD13 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.11 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 53.34 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 65.42 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 72.25 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.34 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.03 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 64.24 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 72.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.21 -56.14 9.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -124.11 -67.91 0.9 Allowed 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.78 -0.646 . . . . 72.32 110.571 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.26 1.618 0 CA-C-O 118.519 -0.753 . . . . 73.24 110.135 -175.715 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 119.284 -0.388 . . . . 72.11 109.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.95 100.85 0.17 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 123.025 2.483 . . . . 74.42 112.942 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 50.2 m 66.01 6.19 3.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.364 1.466 . . . . 73.51 112.856 174.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 64.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 72.1 111.604 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 72.34 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 72.23 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.51 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.14 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 73.32 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 62.31 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 71.54 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.723 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 63.24 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.21 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.02 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 61.35 110.764 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 64.44 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 44.31 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 70.22 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 61.34 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.24 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 40.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t -66.88 -56.65 9.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.56 -59.62 0.3 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 107.499 -1.297 . . . . 74.13 107.499 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.255 1.381 0 CA-C-N 115.103 -0.953 . . . . 64.11 109.878 175.637 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.694 -0.484 . . . . 73.13 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 19.8 Cg_exo -67.83 -58.66 0.12 Allowed 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.305 2.004 . . . . 43.54 112.71 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -146.2 17.91 1.38 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.109 0.564 . . . . 74.15 110.482 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 61.13 110.682 -177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 71.52 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 63.23 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.33 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 65.43 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 74.33 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 51.34 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 60.34 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.618 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 64.44 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 61.43 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 70.23 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 50.13 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 73.35 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 65.14 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 53.24 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.24 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.22 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 72.21 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 52.15 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.519 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 70.32 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 32' ' ' SER . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 42.31 111.341 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 72.13 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 52.13 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 73.4 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 54.31 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.23 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.96 -65.5 0.87 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 74.53 109.079 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.15 -61.98 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.85 0.86 . . . . 72.34 109.446 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.82 0.848 . . . . 73.2 110.048 -172.604 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.033 -0.729 . . . . 71.14 109.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.62 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.417 2.078 . . . . 54.34 113.326 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m -134.64 28.3 3.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.217 0.607 . . . . 72.14 110.647 -173.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 61.43 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 65.32 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 55.21 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.1 112.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 41.42 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.444 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 62.33 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 71.03 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 52.43 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 64.02 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 74.31 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 32.12 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 71.42 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 61.0 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 72.31 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 73.43 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 70.21 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 33.02 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 71.15 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -61.84 -47.98 82.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -106.25 -57.76 2.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.083 -0.962 . . . . 70.23 109.785 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.311 0 CA-C-N 115.062 -0.972 . . . . 73.22 109.53 -174.627 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.915 -0.402 . . . . 71.41 109.915 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.62 98.03 0.74 Allowed 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.843 2.362 . . . . 75.2 112.818 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m 66.49 4.82 3.46 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.156 1.382 . . . . 65.32 112.751 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 52.23 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.01 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 64.12 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 72.5 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 63.12 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.576 ' SD ' HD22 ' A' ' 10' ' ' LEU . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.641 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 72.04 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 73.43 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 63.11 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 65.25 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 73.15 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t -93.87 -82.64 0.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 51.41 109.678 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.97 4.25 0.18 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.61 1.164 . . . . 63.41 110.268 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 124.295 1.038 . . . . 44.43 109.672 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.25 0 CA-C-O 119.565 -0.255 . . . . 60.15 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -65.14 93.43 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.183 2.589 . . . . 51.13 113.116 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t 65.87 7.34 4.54 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 124.964 1.306 . . . . 72.51 112.728 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 73.34 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 73.21 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 62.03 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 60.44 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 72.44 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 45.21 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 51.34 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 64.53 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 61.32 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 62.32 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 53.5 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 73.23 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 55.32 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 63.5 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 74.12 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 72.24 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 55.23 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.31 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.21 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 43.21 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 70.31 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.28 -32.61 26.29 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 61.32 110.57 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -22.15 4.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.23 1.012 . . . . 71.43 110.369 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 123.978 0.911 . . . . 71.45 109.591 174.671 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.504 -0.554 . . . . 45.11 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -78.76 82.75 2.41 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.923 2.416 . . . . 71.41 111.468 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m 62.17 13.98 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.745 1.218 . . . . 52.25 113.505 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 65.43 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.03 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 64.23 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 71.53 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 64.31 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.447 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 73.22 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 42.03 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 64.44 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 64.34 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 63.21 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 54.13 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 72.42 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 52.54 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 65.55 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.02 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 61.21 110.206 173.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 71.21 110.837 168.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t -96.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.91 -36.89 8.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 119.619 -0.229 . . . . 75.5 111.297 -176.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.958 -0.544 . . . . 74.13 109.83 178.384 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 118.643 -0.694 . . . . 64.31 109.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.27 96.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 123.435 2.757 . . . . 74.03 112.699 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m 64.63 6.24 3.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.562 1.545 . . . . 74.52 112.985 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 72.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 61.32 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 64.32 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 55.23 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 43.41 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 54.1 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 64.3 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 65.34 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.543 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 61.05 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 64.15 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 73.52 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.405 ' HB2' HD13 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 61.53 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 74.14 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 45.13 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 71.04 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 71.01 111.221 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 71.22 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.92 -58.92 4.88 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -178.51 -42.0 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.961 -1.018 . . . . 51.43 108.649 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.689 ' HB2' ' HA ' ' A' ' 40' ' ' ARG . 20.9 t . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.402 -1.272 . . . . 74.23 109.135 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.728 -0.471 . . . . 74.33 109.728 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -47.34 3.29 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.281 1.988 . . . . 33.34 113.316 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t -152.02 16.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.667 0.387 . . . . 73.31 111.04 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 53.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 72.14 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 65.21 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 72.41 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 64.35 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 44' ' ' SER . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.417 ' SD ' HD12 ' A' ' 23' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.12 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 55.31 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 71.03 110.654 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 61.25 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 74.21 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 72.43 110.746 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.04 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 72.12 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 71.42 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.3 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 64.35 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 64.41 110.829 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 64.43 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -91.06 24.29 2.89 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 52.21 109.609 165.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.17 15.9 9.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.872 1.669 . . . . 73.21 113.032 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 13' ' ' LEU . 13.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 123.375 0.67 . . . . 54.12 110.959 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 119.571 -0.252 . . . . 75.34 110.428 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.85 -31.34 57.47 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 123.235 2.624 . . . . 62.31 114.862 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -143.62 -4.2 0.87 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.271 0.487 . . . . 63.31 111.815 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.738 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 64.23 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 63.23 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 32.32 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD22 ' HE1' ' A' ' 15' ' ' MET . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 73.42 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 64.42 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 64.2 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.495 ' HE1' HD22 ' A' ' 10' ' ' LEU . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 55.03 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 70.42 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 70.52 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.0 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.22 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 71.41 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.01 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 71.44 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 72.14 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 62.51 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 53.22 110.601 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 63.42 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.45 -52.23 5.99 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -97.07 -36.03 10.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.797 0.839 . . . . 65.41 110.421 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.903 0 C-N-CA 123.627 0.771 . . . . 64.13 109.385 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.148 -0.453 . . . . 74.32 110.098 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 24.0 Cg_exo -62.62 -63.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.88 2.386 . . . . 71.22 113.473 -173.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.57 17.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 64.52 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 72.02 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 62.32 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 72.51 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 73.22 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 73.31 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 45.24 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HB3' HD22 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 64.35 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 64.24 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 62.24 110.84 174.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 71.23 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' HB2' HD22 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 70.32 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 62.33 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 41.04 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 72.43 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.24 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 70.51 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 64.21 111.739 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 64.13 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 50.15 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.31 -37.0 80.16 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.47 -55.2 0.07 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 123.879 0.737 . . . . 62.44 109.124 -172.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.251 1.16 0 CA-C-N 114.799 -1.091 . . . . 73.35 109.294 174.243 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 109.45 -0.574 . . . . 64.14 109.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.09 78.49 1.45 Allowed 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.954 2.436 . . . . 74.01 113.175 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t 65.33 20.54 11.85 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.702 1.201 . . . . 71.43 111.844 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 71.33 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 62.24 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 52.32 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.13 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 64.31 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 63.43 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 43' ' ' GLU . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 72.14 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 62.12 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 71.0 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 73.51 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 64.33 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 65.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 70.2 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 64.21 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 72.3 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 55.34 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 62.11 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 73.43 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 70.45 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 71.0 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t -64.53 -63.26 1.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.722 ' HB2' HD21 ' A' ' 13' ' ' LEU . 20.6 mm-40 -130.13 -75.65 0.54 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.443 0.697 . . . . 73.21 109.68 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.654 -0.689 . . . . 75.14 110.612 -168.452 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.538 -0.171 . . . . 53.43 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -70.71 -71.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 123.209 2.606 . . . . 74.03 111.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -119.81 11.81 11.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.79 0.836 . . . . 72.31 110.72 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 63.44 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 71.01 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 62.41 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' ' 15' ' ' MET . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 60.32 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 51.01 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 60.23 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 72.35 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 63.22 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' HD13 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.41 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 64.03 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 71.03 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 70.32 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 41.54 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 64.41 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 62.33 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 45.24 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 62.41 111.13 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.44 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 71.31 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 64.22 113.597 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.89 -36.39 78.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -101.21 -48.06 4.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.739 0.816 . . . . 72.44 110.087 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.554 1.132 0 C-N-CA 124.787 1.235 . . . . 73.53 109.49 177.479 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.017 -0.516 . . . . 74.14 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.63 -69.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.424 2.083 . . . . 74.12 112.554 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.06 27.25 2.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.85 0.86 . . . . 70.33 109.64 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 64.43 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 64.43 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.22 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 72.31 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 54.33 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 65.3 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.736 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.22 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.11 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 53.54 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 72.03 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 61.52 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 70.2 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.03 110.526 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 33.52 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t -62.67 -72.65 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.91 26.89 2.03 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.436 0.694 . . . . 72.54 111.624 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.513 -0.756 . . . . 63.24 109.067 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.61 -0.515 . . . . 72.24 109.61 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.99 58.14 6.41 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.309 2.673 . . . . 55.32 113.249 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t 65.04 27.87 12.5 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.815 1.246 . . . . 72.22 112.053 172.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 63.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 60.23 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 73.22 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 54.44 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 51.32 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 71.02 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 64.4 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 72.44 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 71.32 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.462 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 60.53 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 71.05 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 61.0 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 51.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 53.44 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 71.02 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -93.85 -72.96 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -118.75 -72.7 0.67 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.028 0.931 . . . . 75.03 109.95 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 CA--C 1.559 1.32 0 C-N-CA 124.191 0.996 . . . . 74.45 108.988 -175.63 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.721 -0.474 . . . . 51.44 109.721 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -60.33 -50.35 7.31 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.937 2.425 . . . . 42.21 113.059 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t -148.21 7.07 0.79 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.09 0.556 . . . . 63.14 110.281 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 51.43 109.706 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 72.25 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 71.22 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 61.5 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 71.15 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 50.0 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.34 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.05 110.178 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.584 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 54.52 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 73.43 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 64.05 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 72.51 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 55.22 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 74.13 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 42.34 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 51.53 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' HD13 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 63.21 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 41.43 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 41.53 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 72.42 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 65.4 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 72.43 110.188 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 35.25 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 72.2 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.25 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t -80.26 -78.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 62.34 108.214 174.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 38.04 88.57 0.01 OUTLIER 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.48 1.512 . . . . 42.22 112.615 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' MET . 15.4 t . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.361 1.464 . . . . 64.41 109.547 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 118.786 -0.626 . . . . 62.43 109.951 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 21.5 Cg_exo -66.74 -63.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.935 2.423 . . . . 74.32 113.146 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -142.11 19.36 2.1 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.61 0.764 . . . . 51.35 110.367 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 70.41 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 71.54 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 64.4 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 74.2 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 65.54 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 51.32 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 73.32 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 70.0 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.588 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 64.34 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 54.5 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 61.52 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' HD22 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 73.33 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' MET . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 54.23 110.463 171.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 65.43 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 64.33 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 63.13 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 70.35 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.1 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 71.33 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 65.43 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.3 -54.32 5.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.24 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.759 1.224 . . . . 72.2 111.072 -170.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 125.572 1.549 . . . . 64.4 108.374 -179.112 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 109.68 -0.489 . . . . 41.52 109.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -40.24 5.63 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.516 2.144 . . . . 74.45 113.026 -172.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -110.91 -13.52 14.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 72.1 113.272 -171.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 63.21 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 72.32 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 60.13 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 74.25 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 65.22 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.11 110.514 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 50.23 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 73.1 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 73.34 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 71.04 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 70.2 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.12 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 61.33 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 73.35 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 63.45 110.576 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HB2' HD13 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 53.21 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 53.01 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 62.51 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 72.31 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.542 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 72.52 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 4.3 m-20 -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -55.86 -47.12 77.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 -45.9 0.09 Allowed 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.493 0.496 . . . . 74.44 110.891 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.564 1.501 0 C-N-CA 123.923 0.889 . . . . 74.32 111.723 -174.026 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.196 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.71 -65.37 0.18 Allowed 'Trans proline' 0 C--N 1.393 2.888 0 C-N-CA 123.832 3.021 . . . . 52.4 114.637 -176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m -139.84 31.78 2.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.041 0.936 . . . . 73.42 110.814 -172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 61.23 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 71.11 111.575 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 23' ' ' LEU . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 73.13 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 64.23 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.708 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 61.14 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 74.52 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 71.54 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 62.32 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 64.34 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 62.4 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 61.41 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 64.22 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.13 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.43 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.32 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 70.31 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 43.01 111.281 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 70.1 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 61.22 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 55.44 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t -94.82 -66.69 0.9 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.86 67.72 0.92 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.728 1.211 . . . . 75.23 112.815 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.708 ' HB2' ' HA ' ' A' ' 15' ' ' MET . 12.8 m . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.373 -0.602 . . . . 65.11 109.373 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.535 -0.543 . . . . 74.24 109.535 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.99 88.02 0.18 Allowed 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.367 2.711 . . . . 74.13 112.168 -172.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 78.99 -21.52 0.33 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.737 2.015 . . . . 73.11 111.841 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 72.11 111.534 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 55.01 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.21 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 73.03 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 62.24 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 53.34 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 61.2 111.713 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 55.34 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 71.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.674 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 64.44 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 70.24 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 71.0 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 72.24 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 63.04 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 65.11 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 63.55 111.802 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 73.23 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.48 -62.34 1.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 62.51 110.593 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.43 -50.64 0.02 OUTLIER 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.419 -0.956 . . . . 75.01 108.419 -167.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.917 -1.492 . . . . 73.43 110.45 179.145 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 109.81 -0.441 . . . . 73.44 109.81 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 65.32 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 73.4 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 63.12 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 72.32 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 50.33 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 63.45 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 64.01 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 64.34 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 65.33 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 73.32 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 39' ' ' ALA . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 64.12 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 71.42 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.648 ' SG ' HD13 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.11 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 53.34 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 65.42 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 72.25 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.34 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.03 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 64.24 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 72.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 50.2 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 112.856 0.687 . . . . 73.51 112.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 64.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 72.1 111.604 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 72.34 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 72.23 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.51 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.14 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 73.32 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 62.31 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 71.54 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.723 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 63.24 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.21 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.02 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 61.35 110.764 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 64.44 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 44.31 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 70.22 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 61.34 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.24 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 40.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.638 0.256 . . . . 74.15 110.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 61.13 110.682 -177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 71.52 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 63.23 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.33 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 65.43 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 74.33 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 51.34 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 60.34 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.618 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 64.44 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 61.43 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 70.23 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 50.13 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 73.35 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 65.14 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 53.24 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.24 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.22 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 72.21 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 52.15 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.519 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 70.32 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 32' ' ' SER . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 42.31 111.341 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 72.13 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 52.13 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 73.4 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 54.31 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.23 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 74.53 109.079 174.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.547 0.213 . . . . 72.14 110.647 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 61.43 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 65.32 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 55.21 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.1 112.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 41.42 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.444 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 62.33 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 71.03 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 52.43 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 64.02 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 74.31 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 32.12 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 71.42 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 61.0 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 72.31 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 73.43 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 70.21 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 33.02 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 71.15 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 112.751 0.649 . . . . 65.32 112.751 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 52.23 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.01 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 64.12 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 72.5 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 63.12 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.576 ' SD ' HD22 ' A' ' 10' ' ' LEU . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.641 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 72.04 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 73.43 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 63.11 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 65.25 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.442 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 73.15 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 51.41 109.678 -178.682 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 112.728 0.64 . . . . 72.51 112.728 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 73.34 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 73.21 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 62.03 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 60.44 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 72.44 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 45.21 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 51.34 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 64.53 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 61.32 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 62.32 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 53.5 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 73.23 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 55.32 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 63.5 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 74.12 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 72.24 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 55.23 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.31 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.21 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 43.21 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 70.31 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 61.32 110.57 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 113.505 0.928 . . . . 52.25 113.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 65.43 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.03 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 64.23 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 71.53 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 64.31 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.447 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 73.22 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 42.03 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 64.44 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 64.34 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 63.21 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 54.13 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 72.42 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 52.54 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 65.55 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.02 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.507 ' HA ' ' ND2' ' A' ' 41' ' ' ASN . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 61.21 110.206 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 38' ' ' MET . 10.5 p30 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 71.21 110.837 168.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 112.985 0.735 . . . . 74.52 112.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 72.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 61.32 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 64.32 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 55.23 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 43.41 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 54.1 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 64.3 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 65.34 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.543 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 61.05 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 64.15 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 73.52 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.405 ' HB2' HD13 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 61.53 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 74.14 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 45.13 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 71.04 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 71.01 111.221 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 71.22 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.728 0.299 . . . . 73.31 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 53.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 72.14 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 65.21 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 72.41 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 64.35 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.417 ' SD ' HD12 ' A' ' 23' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.12 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HG2' HE21 ' A' ' 21' ' ' GLN . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 55.31 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.4 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 71.03 110.654 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 61.25 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 74.21 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 72.43 110.746 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.04 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 72.12 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 71.42 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.3 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 64.35 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 64.41 110.829 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 64.43 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 52.21 109.609 165.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 111.815 0.302 . . . . 63.31 111.815 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 64.23 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 63.23 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 32.32 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD22 ' HE1' ' A' ' 15' ' ' MET . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 73.42 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 64.42 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 64.2 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.495 ' HE1' HD22 ' A' ' 10' ' ' LEU . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 55.03 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 70.42 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 70.52 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.0 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.22 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 71.41 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.01 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 71.44 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 72.14 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 62.51 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 53.22 110.601 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 63.42 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 64.52 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 72.02 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 62.32 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 72.51 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 73.22 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 73.31 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 45.24 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HB3' HD22 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 64.35 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 64.24 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 62.24 110.84 174.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 71.23 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.442 ' HB2' HD22 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 70.32 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 62.33 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 41.04 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 72.43 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.24 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 70.51 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 64.21 111.739 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 64.13 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 50.15 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.215 -0.734 0 N-CA-C 111.844 0.312 . . . . 71.43 111.844 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 71.33 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 62.24 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 52.32 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.13 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 64.31 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 63.43 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 72.14 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 62.12 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 71.0 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 73.51 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 64.33 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 65.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 70.2 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 64.21 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 72.3 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 55.34 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 62.11 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 73.43 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 70.45 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 71.0 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.483 -0.294 . . . . 72.31 110.72 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 63.44 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 71.01 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 62.41 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' ' 15' ' ' MET . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 60.32 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 51.01 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 60.23 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 72.35 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 63.22 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' HD13 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.41 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 64.03 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 71.03 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 70.32 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 41.54 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 64.41 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 62.33 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 45.24 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.458 ' HA ' HD22 ' A' ' 41' ' ' ASN . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 62.41 111.13 175.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.44 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 71.31 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' MET . 67.4 m-80 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 64.22 113.597 -173.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 109.64 -0.504 . . . . 70.33 109.64 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 64.43 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 64.43 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.22 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 72.31 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 54.33 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 65.3 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.736 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.22 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.11 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 53.54 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 72.03 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 61.52 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 70.2 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.03 110.526 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 33.52 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t . . . . . 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.053 0.39 . . . . 72.22 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 63.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 60.23 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 73.22 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 54.44 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 51.32 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 71.02 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 64.4 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 72.44 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 71.32 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.462 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 60.53 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 71.05 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 61.0 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 51.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 53.44 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 71.02 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.281 -0.266 . . . . 63.14 110.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 51.43 109.706 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 72.25 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 71.22 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 61.5 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 71.15 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 50.0 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.464 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.34 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.05 110.178 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.584 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 54.52 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.6 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 73.43 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 64.05 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 72.51 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 55.22 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 74.13 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 42.34 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 51.53 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' HD13 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 63.21 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 41.43 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 41.53 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 72.42 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 65.4 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 72.43 110.188 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 35.25 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 72.2 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.25 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 62.34 108.214 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 119.389 -0.339 . . . . 51.35 110.367 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 70.41 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 71.54 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 64.4 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 74.2 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 65.54 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 51.32 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 73.32 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 70.0 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.588 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 64.34 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 54.5 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 61.52 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' HD22 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 73.33 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' MET . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 54.23 110.463 171.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 65.43 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 64.33 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 63.13 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 70.35 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.1 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 71.33 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 65.43 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 72.1 113.272 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 63.21 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 72.32 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 60.13 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 74.25 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 65.22 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.11 110.514 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 50.23 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 73.1 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 73.34 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 71.04 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 70.2 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.12 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 61.33 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 73.35 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 63.45 110.576 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HB2' HD13 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 53.21 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 53.01 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 62.51 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 72.31 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.542 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 72.52 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 0.9 OUTLIER -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.691 0.281 . . . . 73.42 110.814 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 61.23 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 71.11 111.575 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 23' ' ' LEU . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 73.13 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 64.23 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.421 ' HG2' ' HB2' ' A' ' 19' ' ' CYS . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 61.14 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 74.52 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 71.54 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 62.32 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 64.34 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 62.4 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 61.41 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 64.22 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.13 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.43 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.32 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 70.31 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 43.01 111.281 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 70.1 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 61.22 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 55.44 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.402 -0.332 . . . . 73.11 111.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 72.11 111.534 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 55.01 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.21 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 73.03 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 62.24 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 53.34 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 61.2 111.713 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 55.34 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 71.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.674 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 64.44 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 70.24 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 71.0 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 72.24 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 63.04 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 65.11 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 63.55 111.802 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 73.23 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 62.51 110.593 176.58 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 118.809 -0.615 . . . . 73.41 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.38 -63.41 0.3 Allowed 'Trans proline' 0 C--N 1.385 2.49 0 C-N-CA 123.786 2.991 . . . . 62.04 114.353 -166.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 49.0 t -148.34 25.67 0.98 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.064 0.546 . . . . 73.44 109.81 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -64.62 -49.68 70.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 122.573 0.349 . . . . 71.45 111.87 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.05 -46.88 84.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.036 0.534 . . . . 65.32 110.39 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' A' ' 27' ' ' CYS . 9.4 tt -64.83 -53.09 52.27 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.943 0.897 . . . . 75.13 110.632 -176.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -70.54 -32.43 69.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.693 1.197 . . . . 75.15 111.712 -172.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -72.22 -26.96 62.23 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.744 -0.207 . . . . 73.32 111.252 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 76.5 mtt-85 -74.69 -29.53 61.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.738 0.415 . . . . 73.4 111.115 174.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 32.0 mt -60.32 -36.83 78.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.852 0.834 . . . . 72.12 109.341 172.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -76.62 -44.08 35.68 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.061 -1.427 . . . . 74.41 111.35 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -71.53 -41.54 69.04 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.983 0.913 . . . . 63.12 110.242 -172.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.37 -18.2 60.71 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.437 0.695 . . . . 72.32 111.221 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.09 54.25 31.51 Favored Glycine 0 C--N 1.348 1.2 0 O-C-N 123.968 0.792 . . . . 50.33 113.758 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.65 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.9 ptp -79.89 -173.78 4.05 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 124.043 0.937 . . . . 63.45 109.476 175.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 m -62.73 154.32 29.93 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 110.606 -0.146 . . . . 64.01 110.606 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.41 -46.23 91.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.871 0.868 . . . . 64.34 109.479 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -59.51 -35.79 74.83 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.782 -1.099 . . . . 65.33 111.0 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 49.7 t -61.56 -51.0 70.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.406 -0.591 . . . . 73.13 109.406 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -58.02 -51.72 68.52 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 123.655 0.597 . . . . 73.41 109.556 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.58 -30.34 67.12 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 114.705 -1.134 . . . . 73.5 112.06 -175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -69.93 -50.87 37.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.556 0.742 . . . . 73.32 110.489 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 39' ' ' ALA . 96.2 mt -75.86 -47.3 26.06 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.759 1.223 . . . . 64.12 112.993 -163.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -31.62 72.79 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.535 0.522 . . . . 74.33 110.468 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -64.6 -48.52 74.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.328 1.051 . . . . 71.42 109.869 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.7 mtp -67.77 -30.19 69.58 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.529 -0.759 . . . . 75.24 111.47 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.648 ' SG ' HD13 ' A' ' 6' ' ' LEU . 47.2 t -72.04 -28.09 63.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.329 0.652 . . . . 72.11 111.978 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -71.77 -61.34 1.82 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.118 0.567 . . . . 53.34 110.611 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.39 -38.92 40.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.486 0.714 . . . . 72.3 112.099 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.24 -163.38 29.6 Favored Glycine 0 C--N 1.338 0.657 0 CA-C-N 116.419 -0.355 . . . . 75.01 112.718 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.7 p -82.25 131.36 35.23 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.355 -0.609 . . . . 65.42 109.355 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.8 p -64.14 -38.12 89.91 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.776 -0.647 . . . . 72.25 111.008 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 43.8 mt-10 -58.73 -36.42 74.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.171 0.588 . . . . 73.53 112.076 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.83 -33.11 60.05 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.391 0.276 . . . . 63.34 111.446 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.02 66.6 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.09 0.556 . . . . 75.31 111.425 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -66.29 -31.37 72.12 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 116.141 -0.481 . . . . 64.03 111.666 176.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 6.2 mpt_? -62.32 -39.98 94.84 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.546 -0.538 . . . . 64.24 109.546 174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.9 mmt -72.18 -23.17 61.23 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.669 0.387 . . . . 70.11 110.694 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -69.34 -36.7 77.17 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.419 0.688 . . . . 75.34 110.927 172.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 77.5 mtt-85 -72.06 -31.97 66.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.175 -0.92 . . . . 72.22 110.214 176.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -79.1 -25.75 43.01 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.698 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.21 -56.14 9.78 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.509 0.723 . . . . 75.22 109.775 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -124.11 -67.91 0.9 Allowed 'General case' 0 C--O 1.243 0.753 0 CA-C-N 115.78 -0.646 . . . . 72.32 110.571 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.26 1.618 0 CA-C-O 118.519 -0.753 . . . . 73.24 110.135 -175.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 119.284 -0.388 . . . . 72.11 109.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.95 100.85 0.17 Allowed 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 123.025 2.483 . . . . 74.42 112.942 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 50.2 m 66.01 6.19 3.94 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.364 1.466 . . . . 73.51 112.856 174.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 24.8 mm-40 -78.1 -50.13 12.61 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.658 0.783 . . . . 73.51 110.799 -177.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.68 -40.24 78.95 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.904 0.882 . . . . 64.52 110.742 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.2 tt -70.12 -34.92 73.7 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.558 -1.201 . . . . 71.24 110.086 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 30.2 ttmt -69.9 -31.89 69.91 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.807 0.843 . . . . 72.1 111.604 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 19.1 mm-40 -71.95 -25.93 62.08 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.757 -0.656 . . . . 73.21 110.689 176.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 97.5 mtt180 -70.44 -47.24 61.62 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.912 -0.773 . . . . 72.34 108.912 168.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 88.6 mt -54.89 -43.09 72.91 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 72.23 111.846 -175.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -68.35 -37.07 80.13 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.461 0.476 . . . . 72.34 111.612 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -75.85 -33.8 60.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.141 0.576 . . . . 72.51 110.85 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 97.0 mt -72.47 -24.59 61.21 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.953 0.501 . . . . 75.14 110.365 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 47.11 86.52 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.974 0.796 . . . . 73.32 113.405 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.0 ptp -83.34 -171.29 3.49 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.702 0.801 . . . . 62.31 110.058 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 50.1 m -59.39 136.76 58.07 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 108.802 -0.814 . . . . 75.44 108.802 169.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.723 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -62.9 -30.94 71.92 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 108.667 -0.864 . . . . 75.4 108.667 179.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.82 -35.49 80.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 71.4 111.545 172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 11.9 t -60.28 -46.28 90.39 Favored 'General case' 0 C--N 1.365 1.244 0 N-CA-C 108.414 -0.958 . . . . 71.54 108.414 -176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.723 ' HD3' ' HA ' ' A' ' 17' ' ' GLU . 31.2 mtp85 -49.54 -53.0 25.98 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 124.826 1.329 . . . . 63.24 110.78 176.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.84 -34.33 74.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.851 1.344 . . . . 71.21 110.684 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -71.35 -38.01 71.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.506 1.122 . . . . 75.35 111.518 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 92.8 mt -77.38 -43.14 33.8 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.025 0.93 . . . . 71.02 112.027 -174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.43 -36.49 69.04 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.351 1.061 . . . . 74.3 110.479 168.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -65.09 -44.43 88.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.402 0.681 . . . . 75.21 110.638 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mmt -66.87 -32.43 73.68 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.003 0.521 . . . . 61.35 110.764 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.35 -42.89 87.42 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.939 0.896 . . . . 74.35 111.308 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -65.35 1.01 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 115.929 -0.578 . . . . 64.44 110.404 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.31 13.17 16.09 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.669 0.788 . . . . 75.22 112.831 -169.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.17 -109.71 0.72 Allowed Glycine 0 C--N 1.338 0.667 0 N-CA-C 110.248 -1.141 . . . . 61.02 110.248 173.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.0 p -140.58 135.81 32.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.687 1.195 . . . . 44.31 108.625 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 t -68.22 -20.87 64.86 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.879 0.472 . . . . 71.41 110.714 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.74 -40.57 69.3 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.085 0.954 . . . . 63.31 111.184 177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.8 -25.46 56.39 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 122.591 0.356 . . . . 70.05 111.452 172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.22 68.71 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.769 0.428 . . . . 70.22 110.929 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.56 -31.5 63.66 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.984 -0.376 . . . . 61.34 109.984 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -57.63 -48.17 80.19 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.37 1.068 . . . . 74.24 110.201 172.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.6 mmt -77.46 -21.82 52.31 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.273 -0.421 . . . . 72.45 111.326 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.89 74.03 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 121.297 0.57 . . . . 40.02 111.386 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.6 ptt-85 -81.72 -1.83 48.42 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.183 -0.917 . . . . 73.35 111.715 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -124.54 14.74 8.82 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.703 0.801 . . . . 64.04 110.795 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.3 t -66.88 -56.65 9.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.778 0.831 . . . . 70.24 110.472 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.56 -59.62 0.3 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 107.499 -1.297 . . . . 74.13 107.499 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.255 1.381 0 CA-C-N 115.103 -0.953 . . . . 64.11 109.878 175.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 109.694 -0.484 . . . . 73.13 109.694 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 19.8 Cg_exo -67.83 -58.66 0.12 Allowed 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.305 2.004 . . . . 43.54 112.71 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -146.2 17.91 1.38 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.109 0.564 . . . . 74.15 110.482 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 21.3 mm-40 -68.38 -38.7 81.63 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.588 0.755 . . . . 61.13 110.682 -177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 24.9 t70 -63.24 -35.35 80.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.842 -1.072 . . . . 74.42 110.993 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 35.8 tp -71.58 -49.95 35.61 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 115.787 -0.642 . . . . 71.24 109.765 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -62.81 -36.12 82.12 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 114.913 -1.04 . . . . 70.4 112.121 -172.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.1 65.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 119.272 -0.394 . . . . 71.52 110.877 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 58.8 mtt180 -62.57 -46.53 87.91 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.132 0.491 . . . . 63.23 110.011 170.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . 28.0 mt -59.38 -40.56 86.94 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.898 -1.046 . . . . 71.33 110.823 -172.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -77.74 -44.71 26.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.812 0.845 . . . . 65.43 111.553 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -66.6 -43.29 85.25 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 123.964 0.906 . . . . 74.33 111.815 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.2 mt -80.08 -22.39 42.3 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.93 -1.032 . . . . 51.34 109.772 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.64 65.42 2.74 Favored Glycine 0 C--N 1.353 1.488 0 CA-C-N 115.574 -0.739 . . . . 62.51 113.791 172.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.57 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 16.8 ptp -89.47 -174.43 4.35 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.565 0.746 . . . . 60.34 109.18 173.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -67.9 149.47 49.77 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 110.039 -0.356 . . . . 73.53 110.039 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.618 ' HG3' HH21 ' A' ' 20' ' ' ARG . 29.9 tt0 -59.0 -36.52 75.06 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.841 0.456 . . . . 74.12 110.208 174.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.11 -41.21 99.3 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.632 0.773 . . . . 64.44 110.925 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.57 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 36.0 t -57.95 -50.87 71.89 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 108.918 -0.771 . . . . 72.22 108.918 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.625 ' HG2' ' HB3' ' A' ' 10' ' ' LEU . 30.3 mtm180 -57.1 -50.72 71.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 124.186 0.929 . . . . 74.11 111.702 -178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.92 -32.0 70.35 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.487 1.117 . . . . 61.43 111.253 -174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -67.02 -45.56 77.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.141 0.976 . . . . 70.23 111.108 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 90.4 mt -74.46 -47.3 34.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.708 0.803 . . . . 50.13 112.222 -169.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.22 -41.04 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.745 0.818 . . . . 73.35 110.44 171.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.89 -37.52 84.55 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.931 -0.577 . . . . 65.14 111.04 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 74.4 mtp -72.48 -31.21 65.22 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 120.984 0.421 . . . . 53.24 110.739 176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -71.06 -42.89 68.82 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.16 0.984 . . . . 73.24 111.83 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -84.54 -41.57 16.36 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.666 0.786 . . . . 64.22 109.89 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.89 66.92 0.63 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.139 -1.06 . . . . 72.21 108.139 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.38 -128.48 2.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.025 -0.989 . . . . 52.15 110.832 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -128.67 139.27 52.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.242 0.617 . . . . 73.03 110.308 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.519 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 32.9 p -68.26 -19.33 64.71 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.543 0.737 . . . . 70.32 110.655 170.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.85 -49.35 76.62 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.831 1.252 . . . . 74.54 110.087 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.39 -24.0 42.89 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.083 -0.508 . . . . 63.51 111.633 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 32' ' ' SER . . . -66.73 -42.51 86.14 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.547 0.339 . . . . 42.31 111.341 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.83 -30.22 61.31 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.449 0.3 . . . . 72.13 110.522 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -58.99 -47.01 86.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.092 0.557 . . . . 52.13 110.387 169.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 32.6 mmt -72.28 -27.44 62.47 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.397 -0.365 . . . . 73.4 110.609 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.37 -46.36 76.98 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.142 0.577 . . . . 54.31 111.218 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -72.47 -26.15 61.7 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.032 -0.985 . . . . 73.23 111.075 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.55 -7.12 38.78 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.981 0.513 . . . . 75.45 111.871 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.96 -65.5 0.87 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.711 . . . . 74.53 109.079 174.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.15 -61.98 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.85 0.86 . . . . 72.34 109.446 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.246 0.886 0 C-N-CA 123.82 0.848 . . . . 73.2 110.048 -172.604 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.033 -0.729 . . . . 71.14 109.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -73.62 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.417 2.078 . . . . 54.34 113.326 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.8 m -134.64 28.3 3.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.217 0.607 . . . . 72.14 110.647 -173.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -79.25 -45.62 19.42 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.044 0.538 . . . . 61.43 111.293 -175.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.22 -44.01 92.29 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.36 0.664 . . . . 74.02 109.983 173.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.41 -38.52 91.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.713 -1.13 . . . . 65.32 111.446 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 7.0 ttpm? -71.27 -33.36 69.71 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.066 0.46 . . . . 55.21 110.631 -177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.83 -31.31 71.85 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.988 -0.551 . . . . 75.24 111.295 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -71.51 -29.89 65.31 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.902 0.481 . . . . 74.35 111.017 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' HA ' ' A' ' 7' ' ' LYS . 55.3 mt -62.13 -45.53 93.07 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.874 0.369 . . . . 74.31 110.249 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -33.05 49.37 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.093 -0.503 . . . . 74.1 112.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -70.93 -42.21 70.17 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.151 0.58 . . . . 71.34 109.642 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.48 -20.08 57.35 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.801 -0.636 . . . . 74.12 110.218 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.78 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 111.778 -0.529 . . . . 41.42 111.778 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.444 ' SD ' HD12 ' A' ' 23' ' ' LEU . 14.3 ptp -76.28 177.52 7.19 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.17 0.988 . . . . 72.22 112.759 -165.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 m -61.26 152.87 27.85 Favored 'General case' 0 C--O 1.243 0.726 0 C-N-CA 123.189 0.595 . . . . 71.32 110.581 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.54 -21.69 65.45 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.777 -0.453 . . . . 73.2 109.777 178.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.8 -40.44 63.4 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 122.535 0.334 . . . . 62.33 110.219 169.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t -61.9 -53.93 48.9 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.787 0.679 . . . . 71.03 110.144 -169.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -33.04 74.84 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.94 0.718 . . . . 75.42 112.94 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.93 -33.31 70.39 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.728 0.299 . . . . 52.43 111.296 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.3 mtt180 -66.18 -49.64 66.66 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.834 -0.621 . . . . 74.53 109.954 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.0 mt -74.48 -34.96 63.23 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.452 0.908 . . . . 64.02 113.452 -166.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.42 -39.8 88.74 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.91 -0.404 . . . . 74.31 109.91 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.177 0.591 . . . . 74.31 110.238 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 94.3 mmm -67.45 -31.16 71.13 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.706 0.802 . . . . 74.05 110.62 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.73 -44.74 55.48 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.235 0.614 . . . . 32.12 112.159 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.41 -49.21 7.08 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 121.183 0.515 . . . . 71.42 110.669 -172.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.42 0.17 53.02 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.959 0.904 . . . . 74.13 111.806 -177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.56 -103.29 0.68 Allowed Glycine 0 C--N 1.348 1.214 0 N-CA-C 110.347 -1.101 . . . . 65.42 110.347 172.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 p -148.81 142.89 25.93 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.32 1.048 . . . . 61.0 109.825 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -59.5 -33.41 71.31 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.644 0.778 . . . . 72.31 110.497 173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -55.11 -50.91 68.03 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.651 1.18 . . . . 73.43 111.77 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -70.98 -42.57 69.5 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.444 -1.253 . . . . 70.21 110.656 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.81 -34.59 77.04 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.102 0.779 . . . . 33.02 113.102 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.43 -31.42 60.33 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 121.111 0.481 . . . . 73.54 110.252 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -68.98 -31.98 71.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 115.941 -0.572 . . . . 75.31 110.238 171.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.6 mmt -78.1 -24.94 47.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.64 0.376 . . . . 74.55 110.532 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.31 90.26 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.054 0.542 . . . . 72.14 111.195 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -79.88 9.81 4.89 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 115.394 -0.821 . . . . 74.42 112.208 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -127.67 -21.83 3.69 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.782 0.833 . . . . 71.15 110.462 172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -61.84 -47.98 82.61 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.163 0.985 . . . . 75.4 111.483 -173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -106.25 -57.76 2.01 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.083 -0.962 . . . . 70.23 109.785 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.254 1.311 0 CA-C-N 115.062 -0.972 . . . . 73.22 109.53 -174.627 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.915 -0.402 . . . . 71.41 109.915 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -70.62 98.03 0.74 Allowed 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.843 2.362 . . . . 75.2 112.818 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.0 m 66.49 4.82 3.46 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.156 1.382 . . . . 65.32 112.751 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -84.06 -41.22 17.41 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.254 0.622 . . . . 75.43 111.038 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.01 -40.74 94.72 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.537 0.684 . . . . 52.23 109.257 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.0 tt -67.38 -48.58 66.99 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 114.198 -1.365 . . . . 71.01 109.444 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -58.54 -43.75 89.35 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.332 1.053 . . . . 74.52 112.264 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -73.06 -24.25 60.67 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.84 0.456 . . . . 65.24 110.567 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' LYS . 82.5 mtp180 -76.04 -30.3 58.36 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 119.239 -0.41 . . . . 74.2 110.914 172.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 20' ' ' ARG . 60.0 mt -62.23 -39.5 93.04 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.015 0.526 . . . . 64.12 111.227 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -78.39 -29.04 47.1 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.751 -0.658 . . . . 71.33 111.027 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 51.2 tptt -69.86 -44.85 69.01 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.498 0.719 . . . . 72.5 111.773 -175.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.02 -21.6 26.02 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 109.511 -0.552 . . . . 71.41 109.511 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.57 74.82 0.4 Allowed Glycine 0 C--N 1.355 1.588 0 O-C-N 124.144 0.903 . . . . 63.12 112.396 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.576 ' SD ' HD22 ' A' ' 10' ' ' LEU . 4.4 ptm -90.22 -164.53 1.18 Allowed 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.31 0.644 . . . . 55.05 109.718 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.641 ' HB2' ' HB2' ' A' ' 19' ' ' CYS . 49.6 m -59.47 137.91 57.85 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.245 -0.65 . . . . 74.24 109.245 171.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.78 -39.78 92.89 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.674 0.749 . . . . 71.4 109.402 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.61 -28.43 63.79 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.122 -0.945 . . . . 72.41 111.371 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.641 ' HB2' ' HB2' ' A' ' 16' ' ' SER . 13.6 t -55.5 -48.7 74.19 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 108.563 -0.902 . . . . 74.43 108.563 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.591 ' HA ' HD13 ' A' ' 10' ' ' LEU . 20.0 mtp85 -51.91 -50.96 60.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 124.534 1.146 . . . . 72.04 111.009 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -58.36 -33.85 70.02 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.427 -1.261 . . . . 75.32 110.564 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' MET . 93.9 mtt-85 -72.71 -46.55 53.12 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.741 -1.118 . . . . 73.43 110.455 175.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 70.4 mt -70.2 -53.68 16.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.54 0.736 . . . . 74.33 111.931 -170.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.3 -38.49 58.59 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.069 0.948 . . . . 73.24 110.425 176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -69.52 -48.23 61.18 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.627 0.771 . . . . 74.24 110.54 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 75.0 mtp -63.56 -30.84 71.9 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.383 0.673 . . . . 75.42 111.256 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.0 t -64.41 -36.82 85.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.954 0.901 . . . . 63.11 111.419 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.92 -48.09 11.08 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.587 0.755 . . . . 75.2 110.76 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.54 -62.27 1.99 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.812 0.845 . . . . 65.25 109.826 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.29 -122.37 3.3 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 114.946 -1.025 . . . . 72.54 110.821 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.6 p -123.28 168.16 12.83 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.153 -0.684 . . . . 75.33 109.153 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.4 p -65.58 -24.57 67.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.911 -0.586 . . . . 53.05 110.876 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.23 -23.68 67.39 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.117 0.967 . . . . 74.43 112.103 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -71.24 -50.48 32.45 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.51 -0.552 . . . . 74.33 109.51 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.442 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.26 -46.66 82.74 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.421 1.088 . . . . 63.4 112.358 -171.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -32.82 70.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.341 0.656 . . . . 64.1 110.832 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.92 -38.62 89.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.797 0.839 . . . . 74.33 109.629 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.494 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 34.8 mmt -79.18 -21.24 46.68 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 114.59 -1.186 . . . . 72.4 110.903 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.17 71.04 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.246 0.618 . . . . 63.44 110.322 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -82.25 3.5 27.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.086 -0.961 . . . . 73.15 110.967 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -120.85 15.47 11.74 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 124.353 1.061 . . . . 62.12 110.34 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.1 t -93.87 -82.64 0.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.941 0.496 . . . . 51.41 109.678 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.97 4.25 0.18 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.61 1.164 . . . . 63.41 110.268 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--O 1.255 1.367 0 C-N-CA 124.295 1.038 . . . . 44.43 109.672 179.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.25 0 CA-C-O 119.565 -0.255 . . . . 60.15 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -65.14 93.43 0.22 Allowed 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 123.183 2.589 . . . . 51.13 113.116 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t 65.87 7.34 4.54 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 124.964 1.306 . . . . 72.51 112.728 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -79.27 -39.12 33.79 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.405 -0.961 . . . . 73.34 108.405 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.81 -40.96 98.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.472 0.709 . . . . 64.31 110.342 173.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 35' ' ' ALA . 9.7 tt -61.38 -50.4 73.03 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.226 -0.897 . . . . 74.35 109.366 178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -51.79 -44.09 63.3 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.553 1.141 . . . . 72.12 111.391 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -72.46 -26.35 61.78 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.39 -0.823 . . . . 73.21 112.346 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 6' ' ' LEU . 87.6 mtt180 -59.45 -48.27 82.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.029 -0.73 . . . . 72.44 109.029 171.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 21.1 mt -60.24 -47.08 87.51 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.538 1.149 . . . . 62.03 111.039 -172.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -69.74 -43.86 71.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 114.286 -1.324 . . . . 60.44 110.912 -177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.28 -38.1 89.22 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.771 0.828 . . . . 72.44 110.756 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 5.6 tt -71.98 -23.57 61.45 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 114.952 -1.022 . . . . 73.14 109.414 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.36 50.3 16.82 Favored Glycine 0 C--N 1.35 1.321 0 CA-C-N 115.67 -0.696 . . . . 45.21 112.604 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.56 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 13.0 ptp -83.86 -179.81 7.37 Favored 'General case' 0 C--O 1.246 0.898 0 C-N-CA 123.67 0.788 . . . . 51.34 109.323 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -60.26 153.57 22.06 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 122.814 0.446 . . . . 70.31 110.626 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 38.1 mt-10 -64.45 -33.93 77.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.934 0.397 . . . . 64.53 110.039 174.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.19 -31.34 67.52 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 119.172 -0.442 . . . . 75.33 110.255 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.56 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 44.0 t -62.95 -53.66 50.56 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 109.603 -0.518 . . . . 61.32 109.603 -175.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD3' ' O ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -65.2 -40.75 94.62 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.262 0.351 . . . . 73.52 111.544 -179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -62.43 -29.26 70.38 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 123.245 0.618 . . . . 65.0 111.667 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.56 -44.51 50.66 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.887 0.875 . . . . 62.32 111.127 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.87 -43.49 45.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.017 0.927 . . . . 70.41 112.442 -169.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 32.2 mt-10 -54.96 -39.73 69.26 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.237 0.615 . . . . 53.5 109.71 172.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -70.09 -42.33 72.89 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.021 -0.99 . . . . 73.23 110.773 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.35 -32.4 70.07 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 123.603 0.761 . . . . 55.32 110.77 174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 34.4 t -71.66 -32.36 67.82 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.111 -0.95 . . . . 63.5 111.852 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -79.39 -49.63 12.07 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.641 -0.503 . . . . 74.12 109.641 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.71 -60.75 2.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.495 1.118 . . . . 72.24 110.974 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.49 -99.02 1.27 Allowed Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.534 -0.757 . . . . 73.04 111.782 -178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.7 p -144.26 167.84 21.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 124.886 1.274 . . . . 55.23 108.428 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.9 p -64.95 -22.3 66.98 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.968 -0.56 . . . . 74.13 110.226 169.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -67.07 -40.25 87.0 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.502 0.721 . . . . 74.31 110.158 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.71 -45.67 93.34 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.568 0.747 . . . . 70.0 111.407 176.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -64.29 -49.82 70.31 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 114.863 -1.062 . . . . 74.12 111.646 -174.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.55 -31.98 69.24 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 122.226 0.211 . . . . 74.42 111.303 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -58.22 -49.32 77.5 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.127 0.971 . . . . 75.21 110.319 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.7 mmt -77.89 -29.35 50.17 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 116.174 -0.466 . . . . 72.55 109.894 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.35 -41.54 93.85 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.925 0.89 . . . . 43.21 113.072 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.71 -10.52 59.9 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.737 0.815 . . . . 70.31 112.367 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -134.54 20.8 3.62 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.59 0.756 . . . . 74.51 111.298 175.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -83.28 -32.61 26.29 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.302 0.641 . . . . 61.32 110.57 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -22.15 4.03 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.23 1.012 . . . . 71.43 110.369 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 C--O 1.252 1.198 0 C-N-CA 123.978 0.911 . . . . 71.45 109.591 174.671 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.504 -0.554 . . . . 45.11 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -78.76 82.75 2.41 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.923 2.416 . . . . 71.41 111.468 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.6 m 62.17 13.98 6.27 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.745 1.218 . . . . 52.25 113.505 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.12 -41.26 70.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.361 0.664 . . . . 73.3 110.412 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.14 -50.65 67.37 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.325 -0.852 . . . . 72.13 109.678 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 tt -61.17 -46.31 91.05 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 124.209 0.943 . . . . 74.01 110.434 -175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -53.88 -51.63 63.08 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.565 1.165 . . . . 65.43 111.902 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -72.65 -28.05 62.49 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.748 0.277 . . . . 65.32 111.748 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.47 -30.68 71.76 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.808 0.692 . . . . 72.52 110.494 171.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 20' ' ' ARG . 75.3 mt -61.84 -46.6 88.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 122.335 0.254 . . . . 74.03 110.411 -178.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -30.01 52.55 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 116.735 -0.211 . . . . 64.23 111.055 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -65.03 -36.53 84.67 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.837 0.855 . . . . 71.53 110.536 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.85 -20.65 61.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.489 0.716 . . . . 74.42 110.973 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.31 41.53 67.99 Favored Glycine 0 C--N 1.35 1.314 0 O-C-N 123.445 0.466 . . . . 64.31 112.179 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 18.3 ptp -76.59 -171.81 1.98 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.816 0.846 . . . . 74.45 112.059 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.447 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 49.5 m -70.46 144.6 51.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.713 -0.676 . . . . 73.22 110.049 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 3.7 mp0 -64.23 -27.56 69.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.946 0.498 . . . . 42.03 112.219 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -71.15 -31.56 67.86 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 123.92 0.762 . . . . 72.34 109.261 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 m -65.5 -52.05 55.54 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-O 118.463 -0.779 . . . . 74.41 109.873 -174.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.34 -35.39 78.96 Favored 'General case' 0 N--CA 1.501 2.1 0 CA-C-N 118.243 0.474 . . . . 74.32 110.342 -175.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.23 -37.18 82.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.869 0.731 . . . . 64.14 110.999 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -77.15 -46.0 24.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.098 -0.501 . . . . 74.12 110.932 175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 84.0 mt -74.58 -31.23 61.99 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.991 0.737 . . . . 74.41 112.991 -164.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -63.85 -34.91 78.98 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.192 0.933 . . . . 73.23 109.451 174.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -75.38 -42.56 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.895 0.878 . . . . 64.44 110.499 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.5 mmm -65.27 -31.86 73.23 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.539 0.736 . . . . 64.34 111.418 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 t -72.0 -40.89 68.21 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.654 0.781 . . . . 73.42 111.321 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.0 mttm -71.67 -56.68 5.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.755 0.788 . . . . 63.21 109.55 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.66 15.92 4.32 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 114.25 -1.341 . . . . 54.13 112.3 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.35 -125.43 0.89 Allowed Glycine 0 C--N 1.339 0.695 0 N-CA-C 111.231 -0.748 . . . . 65.32 111.231 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.5 p -124.94 144.56 50.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.834 0.854 . . . . 72.42 109.585 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 m -71.28 -32.73 69.04 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.571 0.748 . . . . 74.14 111.059 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.11 -33.74 76.76 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.116 0.566 . . . . 73.02 111.198 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.07 -50.88 20.42 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.469 0.707 . . . . 70.42 110.116 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -34.95 76.14 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 123.884 0.74 . . . . 52.54 111.899 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 10.7 pt-20 -76.02 -30.31 58.42 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.415 0.286 . . . . 65.55 110.495 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.2 ttm-85 -66.4 -30.71 71.14 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.474 0.31 . . . . 73.02 110.301 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.507 ' HA ' ' ND2' ' A' ' 41' ' ' ASN . 33.7 mmt -69.3 -35.11 75.66 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.93 -0.577 . . . . 61.21 110.206 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.43 91.11 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.214 0.606 . . . . 73.2 110.357 171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 64.9 mtt180 -70.71 -2.26 14.0 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.697 0.799 . . . . 75.44 112.092 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 38' ' ' MET . 10.5 p30 -129.06 19.1 5.98 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 122.778 0.431 . . . . 71.21 110.837 168.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 35.0 t -96.13 -66.45 0.91 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.24 0.616 . . . . 75.2 109.426 169.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.91 -36.89 8.47 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 119.619 -0.229 . . . . 75.5 111.297 -176.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.958 -0.544 . . . . 74.13 109.83 178.384 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 118.643 -0.694 . . . . 64.31 109.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -57.27 96.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.389 2.679 0 C-N-CA 123.435 2.757 . . . . 74.03 112.699 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m 64.63 6.24 3.12 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.562 1.545 . . . . 74.52 112.985 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 39.1 tt0 -78.38 -47.87 16.72 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-O 118.61 -0.71 . . . . 71.51 109.929 -174.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.13 -39.96 76.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.845 0.715 . . . . 72.12 110.228 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.2 tt -63.61 -44.14 94.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.107 -0.951 . . . . 61.32 109.226 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -64.24 -32.19 73.68 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.013 0.925 . . . . 75.13 111.762 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mm-40 -69.35 -36.85 77.31 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.515 -0.55 . . . . 64.32 109.515 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.64 -34.72 78.5 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.075 0.859 . . . . 55.23 110.2 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 89.6 mt -63.76 -37.62 88.06 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.734 0.414 . . . . 43.41 110.846 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -79.16 -39.24 33.99 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.863 -0.608 . . . . 54.1 110.893 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.48 -41.99 99.18 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.943 1.297 . . . . 64.3 111.279 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.97 -22.93 27.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.681 -1.145 . . . . 73.52 110.233 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.9 37.82 58.69 Favored Glycine 0 C--N 1.359 1.854 0 O-C-N 123.689 0.618 . . . . 64.2 114.023 172.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 ptp -71.26 -168.1 0.28 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.245 1.018 . . . . 72.5 111.721 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 29.3 m -60.88 131.8 51.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.12 110.062 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 mt-10 -54.69 -38.02 66.51 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.058 0.762 . . . . 75.23 113.058 -173.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.88 -31.36 72.51 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.88 0.738 . . . . 75.31 110.084 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 64.3 m -66.28 -52.23 49.54 Favored 'General case' 0 C--O 1.203 -1.35 0 O-C-N 123.963 0.789 . . . . 65.34 108.892 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.543 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -65.98 -36.94 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 117.94 0.336 . . . . 72.22 110.304 -175.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.19 -31.05 72.1 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.977 0.798 . . . . 61.05 110.686 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -77.98 -47.64 18.05 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 123.504 0.721 . . . . 64.15 110.903 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 62.3 mt -74.2 -30.99 62.47 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.881 0.872 . . . . 73.52 111.904 -166.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -60.24 -40.83 91.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.372 0.669 . . . . 74.32 109.241 171.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 ttmp? -76.12 -43.72 41.86 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.308 0.643 . . . . 65.14 110.383 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.2 mtp -61.8 -32.93 73.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.295 1.038 . . . . 75.05 110.709 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.405 ' HB2' HD13 ' A' ' 6' ' ' LEU . 40.2 t -64.57 -39.26 93.41 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.947 -0.57 . . . . 74.22 111.394 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 48.3 mttm -79.98 -60.43 2.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.915 0.486 . . . . 72.13 111.547 -173.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -77.93 -17.78 56.86 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.93 0.492 . . . . 61.53 111.459 -177.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.19 -115.63 3.56 Favored Glycine 0 C--N 1.347 1.16 0 N-CA-C 111.745 -0.542 . . . . 74.22 111.745 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 p -140.47 151.53 44.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.236 1.014 . . . . 74.14 109.77 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -63.94 -48.32 77.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.215 0.606 . . . . 45.13 110.811 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.11 -35.73 73.94 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.056 0.942 . . . . 74.22 112.237 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.55 -46.07 56.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.344 0.657 . . . . 63.24 110.434 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -64.09 -45.86 86.8 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.611 0.569 . . . . 71.04 111.858 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 12.5 pt-20 -64.83 -29.14 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.567 0.347 . . . . 73.41 111.22 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -45.68 72.53 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.19 -0.67 . . . . 73.22 109.19 174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mmt -68.61 -20.42 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.423 0.689 . . . . 71.01 111.221 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -63.28 -42.22 99.07 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.8 0.84 . . . . 53.33 110.528 171.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 1.1 mmp_? -65.76 -32.42 73.95 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.523 -1.217 . . . . 75.52 110.473 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -80.84 -27.65 36.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.941 0.897 . . . . 71.22 111.508 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.92 -58.92 4.88 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.657 -0.497 . . . . 63.33 109.657 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -178.51 -42.0 0.01 OUTLIER 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.961 -1.018 . . . . 51.43 108.649 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.689 ' HB2' ' HA ' ' A' ' 40' ' ' ARG . 20.9 t . . . . . 0 C--O 1.251 1.154 0 CA-C-N 114.402 -1.272 . . . . 74.23 109.135 -175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 109.728 -0.471 . . . . 74.33 109.728 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -47.34 3.29 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.281 1.988 . . . . 33.34 113.316 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.3 t -152.02 16.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.667 0.387 . . . . 73.31 111.04 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 16.7 mm-40 -69.6 -41.57 75.56 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.16 -0.473 . . . . 53.42 111.515 -168.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.49 -44.07 93.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.752 0.821 . . . . 72.14 110.6 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.1 tt -67.46 -40.28 85.34 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.139 -0.937 . . . . 65.21 110.263 -177.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.18 -41.48 96.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.555 1.142 . . . . 72.41 110.967 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 29.4 mm-40 -64.99 -36.6 84.92 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.753 -0.658 . . . . 71.12 110.857 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 99.1 mtt180 -60.95 -40.05 91.81 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.8 0.44 . . . . 73.22 110.574 174.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.3 mt -62.54 -46.34 88.83 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.234 0.614 . . . . 64.35 110.831 -177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -79.73 -50.44 10.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.424 -0.807 . . . . 74.52 112.349 -174.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -69.22 -39.55 78.5 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.509 1.124 . . . . 75.34 110.826 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 44' ' ' SER . 0.3 OUTLIER -73.56 -21.05 60.47 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.309 0.644 . . . . 73.4 110.391 -179.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.54 51.57 53.17 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 123.694 0.621 . . . . 70.43 113.289 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.417 ' SD ' HD12 ' A' ' 23' ' ' LEU . 23.3 ptp -74.54 -179.22 3.93 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 122.915 0.486 . . . . 75.14 111.106 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 50.4 m -62.3 138.61 58.46 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.893 0.477 . . . . 72.12 109.728 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HG2' HE21 ' A' ' 21' ' ' GLN . 37.6 tt0 -62.15 -29.1 70.11 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 123.242 0.339 . . . . 73.32 111.462 -174.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -66.76 -30.58 70.83 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.043 -0.98 . . . . 71.15 110.32 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.611 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 99.9 m -69.97 -52.57 23.25 Favored 'General case' 0 C--O 1.208 -1.1 0 N-CA-C 108.774 -0.824 . . . . 73.04 108.774 -174.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -60.58 -33.61 72.98 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 118.228 0.467 . . . . 55.31 110.992 -173.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.4 mt-30 -62.51 -37.43 85.99 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 124.291 0.994 . . . . 71.03 110.654 178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -75.91 -44.92 37.92 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.206 -0.906 . . . . 61.25 110.221 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 71.7 mt -75.36 -45.44 39.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.476 0.711 . . . . 74.5 112.189 -165.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.62 -39.28 76.54 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.133 0.896 . . . . 72.52 109.095 175.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -69.32 -41.38 76.78 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.582 0.753 . . . . 74.21 111.231 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.9 mmt -69.1 -30.58 68.9 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.077 0.551 . . . . 72.43 110.746 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.6 t -72.31 -30.6 64.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.718 0.807 . . . . 73.43 110.598 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 24' ' ' GLU . 58.0 mttm -74.93 -64.8 0.97 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.776 0.798 . . . . 74.33 110.572 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.26 18.73 7.83 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 114.553 -1.203 . . . . 64.04 112.868 -166.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.11 -119.19 0.71 Allowed Glycine 0 C--N 1.333 0.398 0 N-CA-C 110.992 -0.843 . . . . 72.12 110.992 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.4 p -127.29 143.06 51.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.106 0.562 . . . . 71.42 109.587 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.5 m -63.05 -37.82 88.73 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.164 0.586 . . . . 75.34 111.005 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 12.7 pt-20 -63.32 -32.18 73.53 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 116.432 -0.349 . . . . 53.5 111.597 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -67.82 -45.66 74.1 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.222 0.609 . . . . 64.1 110.754 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.24 -33.55 73.46 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.293 -0.867 . . . . 74.2 112.6 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.54 -29.87 59.55 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.727 0.411 . . . . 61.3 111.534 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 73.4 mtp180 -63.31 -45.55 90.81 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.073 0.463 . . . . 64.35 109.79 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 31.7 mmt -69.64 -22.6 63.45 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.007 0.523 . . . . 64.41 110.829 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.6 68.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.117 0.567 . . . . 64.43 111.103 175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -72.08 -23.61 61.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.694 -0.23 . . . . 71.3 110.714 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 13.3 m-80 -76.71 -9.62 58.8 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.099 0.56 . . . . 64.43 110.662 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -91.06 24.29 2.89 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.778 0.831 . . . . 52.21 109.609 165.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 64.17 15.9 9.66 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 125.872 1.669 . . . . 73.21 113.032 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 13' ' ' LEU . 13.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 123.375 0.67 . . . . 54.12 110.959 -173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 119.571 -0.252 . . . . 75.34 110.428 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.85 -31.34 57.47 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 123.235 2.624 . . . . 62.31 114.862 -172.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -143.62 -4.2 0.87 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.271 0.487 . . . . 63.31 111.815 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.738 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 8.2 mp0 -69.29 -43.77 73.18 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.371 0.668 . . . . 72.51 109.92 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -59.01 -41.71 88.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.51 -0.768 . . . . 74.21 110.193 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.61 -49.71 67.76 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 115.539 -0.755 . . . . 64.23 111.518 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.92 -31.66 73.0 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.488 0.493 . . . . 63.23 111.311 -174.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -73.26 -28.0 61.89 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.387 0.675 . . . . 32.32 111.565 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -70.51 -34.59 72.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.091 -0.337 . . . . 75.45 110.091 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD22 ' HE1' ' A' ' 15' ' ' MET . 20.2 mt -63.5 -32.35 73.77 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.181 0.515 . . . . 73.12 110.106 176.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -78.22 -49.62 13.43 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.956 0.902 . . . . 72.13 111.197 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.8 -42.43 85.94 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.51 0.724 . . . . 73.42 110.786 -174.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.38 -23.56 59.01 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.914 -0.584 . . . . 64.42 110.051 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.66 71.88 1.09 Allowed Glycine 0 C--N 1.355 1.594 0 N-CA-C 114.833 0.693 . . . . 64.2 114.833 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.495 ' HE1' HD22 ' A' ' 10' ' ' LEU . 14.7 ptp -93.69 -170.89 2.45 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.859 0.864 . . . . 74.52 110.332 173.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 m -75.55 147.69 39.48 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.491 -0.929 . . . . 72.03 108.491 168.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.46 -36.24 75.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 119.201 -0.428 . . . . 73.32 111.067 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.39 -35.2 76.84 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.937 0.773 . . . . 74.01 110.611 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 13.5 t -60.58 -45.77 92.7 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 108.669 -0.863 . . . . 61.54 108.669 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' HD13 ' A' ' 10' ' ' LEU . 43.2 mtm180 -59.5 -47.01 87.18 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.022 0.439 . . . . 55.03 110.68 175.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -57.95 -31.48 66.9 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 114.97 -1.013 . . . . 70.42 109.915 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' MET . 66.4 mtt180 -71.38 -55.38 8.09 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.422 -1.263 . . . . 70.52 109.786 170.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 93.1 mt -75.93 -45.9 32.74 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.972 1.101 . . . . 73.0 113.972 -162.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' A' ' 7' ' ' LYS . 53.5 mt-10 -52.29 -42.57 63.86 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.403 0.681 . . . . 71.22 109.718 173.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -69.16 -50.79 44.57 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-N 114.643 -1.162 . . . . 72.22 109.577 -175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 82.4 mtp -60.53 -31.52 70.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.399 1.08 . . . . 71.41 111.993 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.36 -34.7 78.92 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.378 1.071 . . . . 73.21 111.027 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -94.97 -21.36 18.66 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.022 0.929 . . . . 75.45 111.932 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.16 -34.49 37.57 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.347 0.659 . . . . 71.01 110.291 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -143.56 -93.57 0.18 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 116.029 -0.532 . . . . 72.0 112.382 -176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.8 p -127.15 140.2 52.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.092 0.557 . . . . 71.44 110.815 -173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 p -67.52 -38.85 84.85 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.294 -0.866 . . . . 73.44 110.074 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.6 -40.03 65.37 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.309 1.044 . . . . 72.14 112.534 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.85 -33.83 52.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.957 0.503 . . . . 62.51 111.801 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.87 65.62 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.175 0.59 . . . . 53.22 110.601 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.58 -28.8 65.15 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.235 0.614 . . . . 75.11 110.991 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.24 -52.42 65.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 109.863 -0.421 . . . . 73.52 109.863 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.4 mmt -61.93 -29.6 70.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 119.315 -0.374 . . . . 75.12 111.087 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.01 -47.94 83.38 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.884 0.74 . . . . 63.42 111.676 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 15.7 1.26 Allowed 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 113.169 0.803 . . . . 74.54 113.169 -176.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -138.06 -1.48 1.96 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.427 0.691 . . . . 64.02 110.784 166.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.7 t -85.45 -52.23 5.99 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.547 0.739 . . . . 73.14 109.677 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -97.07 -36.03 10.62 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.797 0.839 . . . . 65.41 110.421 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.903 0 C-N-CA 123.627 0.771 . . . . 64.13 109.385 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 119.148 -0.453 . . . . 74.32 110.098 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 24.0 Cg_exo -62.62 -63.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.88 2.386 . . . . 71.22 113.473 -173.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.6 t -159.57 17.37 0.16 Allowed 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 121.367 0.603 . . . . 73.11 110.068 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.78 -40.45 69.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.257 1.023 . . . . 73.41 111.772 -171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.4 -38.95 81.86 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.752 0.821 . . . . 64.52 110.119 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 20.3 tp -64.83 -55.98 16.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.336 -0.847 . . . . 72.02 109.784 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -58.27 -47.43 83.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.229 1.012 . . . . 62.32 112.52 -169.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.22 -26.94 64.1 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.978 -0.556 . . . . 73.44 111.583 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -77.14 -32.03 56.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-O 119.022 -0.513 . . . . 75.44 111.206 170.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 35.2 mt -64.7 -45.64 85.75 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.074 0.397 . . . . 72.51 110.345 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.3 -34.39 70.58 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.573 -0.74 . . . . 73.21 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -70.14 -40.85 74.55 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.697 0.799 . . . . 73.22 110.899 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 15' ' ' MET . 9.0 tt -73.17 -23.43 60.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.626 -1.17 . . . . 73.31 109.5 -174.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.0 44.36 97.9 Favored Glycine 0 C--N 1.358 1.806 0 O-C-N 123.701 0.625 . . . . 45.24 113.496 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HB3' HD22 ' A' ' 13' ' ' LEU . 17.2 ptp -74.55 178.9 5.0 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.021 0.928 . . . . 75.12 110.524 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -59.67 145.52 44.52 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 116.088 -0.506 . . . . 64.35 110.271 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.07 -32.11 71.76 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.878 0.308 . . . . 64.24 111.418 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 34.3 tt0 -65.4 -32.56 74.26 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.37 1.044 . . . . 62.24 110.84 174.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.1 t -64.53 -51.04 64.92 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 122.877 0.471 . . . . 74.34 109.878 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -63.61 -33.21 75.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 123.35 0.406 . . . . 71.23 110.281 -175.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -63.41 -41.45 98.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.278 -0.874 . . . . 74.41 110.02 176.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 18' ' ' GLU . 6.7 mpt_? -69.25 -42.15 76.01 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.616 -0.72 . . . . 75.03 109.838 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 89.1 mt -75.42 -49.44 18.9 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 123.492 0.495 . . . . 75.21 111.614 -170.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.38 -31.39 65.74 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.546 0.338 . . . . 74.44 111.33 174.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -68.43 -51.49 43.18 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.779 -0.823 . . . . 74.3 108.779 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 83.8 mtp -62.05 -30.65 71.13 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.118 0.967 . . . . 73.41 111.834 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' HB2' HD22 ' A' ' 6' ' ' LEU . 37.1 t -71.48 -49.21 43.48 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 124.388 1.075 . . . . 53.15 111.896 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -81.54 -22.94 37.55 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 115.501 -0.772 . . . . 70.32 111.433 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -85.42 -63.51 1.31 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.375 0.67 . . . . 74.42 109.507 173.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.89 -106.39 0.83 Allowed Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.563 -0.744 . . . . 63.35 111.431 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.3 p -136.57 153.18 51.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.768 . . . . 75.34 110.184 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -61.15 -32.85 72.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.376 0.671 . . . . 62.33 109.918 173.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.35 -37.73 83.7 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.875 0.87 . . . . 41.04 111.038 -178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.68 -42.37 98.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.188 0.995 . . . . 72.43 110.674 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.35 -49.79 38.87 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.24 112.354 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.49 -28.38 68.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.544 0.738 . . . . 70.51 111.382 -176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.7 -50.08 74.37 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.632 0.583 . . . . 73.54 109.725 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.3 mmm -67.88 -28.47 67.55 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.304 0.641 . . . . 72.43 111.987 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -61.67 -40.8 96.22 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.211 0.604 . . . . 64.21 111.739 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -85.2 15.37 4.28 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.568 -0.742 . . . . 64.13 112.536 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -142.71 6.84 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.716 0.406 . . . . 50.15 110.82 165.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.31 -37.0 80.16 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.316 0.646 . . . . 64.55 111.386 -178.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -158.47 -55.2 0.07 Allowed 'General case' 0 C--O 1.239 0.519 0 O-C-N 123.879 0.737 . . . . 62.44 109.124 -172.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.251 1.16 0 CA-C-N 114.799 -1.091 . . . . 73.35 109.294 174.243 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 109.45 -0.574 . . . . 64.14 109.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.09 78.49 1.45 Allowed 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.954 2.436 . . . . 74.01 113.175 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 t 65.33 20.54 11.85 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.702 1.201 . . . . 71.43 111.844 170.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.81 -46.69 80.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.004 0.922 . . . . 71.33 111.761 -173.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.05 -39.87 75.69 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.376 1.071 . . . . 74.41 111.486 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' A' ' 35' ' ' ALA . 6.9 tt -75.7 -43.81 45.27 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.069 0.948 . . . . 73.2 110.343 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.76 -33.08 73.29 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.081 -0.963 . . . . 62.24 111.518 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -72.92 -31.6 64.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.248 -0.433 . . . . 52.32 110.161 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.2 mtp85 -61.39 -32.1 72.03 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.355 0.262 . . . . 74.15 111.219 175.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' ARG . 69.7 mt -61.17 -49.54 76.79 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.346 0.593 . . . . 74.13 110.886 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -80.44 -32.74 37.2 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.177 -0.92 . . . . 64.31 112.112 -177.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.41 -41.59 55.73 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.214 0.606 . . . . 63.43 110.796 -173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 43' ' ' GLU . 39.0 tp -78.88 -25.3 43.9 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.171 -0.922 . . . . 63.14 109.611 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.18 70.59 Favored Glycine 0 C--N 1.357 1.726 0 O-C-N 123.62 0.575 . . . . 61.51 112.757 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.511 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 19.1 ptp -76.22 -173.35 2.38 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.05 0.94 . . . . 72.14 110.4 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.8 m -67.63 150.39 48.82 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 109.877 -0.416 . . . . 75.42 109.877 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.74 -39.99 90.74 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.301 -0.629 . . . . 62.12 109.301 171.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -56.27 -41.32 75.66 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.533 1.133 . . . . 71.0 111.038 174.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.3 t -60.22 -52.12 66.66 Favored 'General case' 0 C--N 1.364 1.202 0 N-CA-C 108.71 -0.848 . . . . 70.15 108.71 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' HD22 ' A' ' 10' ' ' LEU . 66.0 mtm180 -54.55 -53.74 50.48 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 123.75 0.82 . . . . 74.05 111.267 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.17 -29.48 68.7 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.373 -0.83 . . . . 73.34 111.495 -173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.7 -45.45 64.95 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 124.087 0.955 . . . . 73.51 110.515 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 98.0 mt -75.78 -45.93 33.55 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.12 0.968 . . . . 73.3 112.773 -170.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.58 -43.15 62.36 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.058 0.943 . . . . 64.33 110.045 171.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 tptp -67.06 -52.93 36.03 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.448 -0.796 . . . . 75.51 109.692 -176.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 70.4 mmm -55.81 -34.93 65.79 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.262 0.976 . . . . 65.43 111.612 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.96 -38.72 76.21 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.543 -0.753 . . . . 55.1 110.875 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -76.88 -27.78 55.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.746 -0.661 . . . . 70.2 111.586 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 13.1 mm-40 -73.9 -59.38 2.75 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.205 -0.665 . . . . 74.35 109.205 178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.76 -108.26 3.05 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 110.977 -0.849 . . . . 72.12 110.977 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -135.09 173.77 11.35 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 123.698 0.799 . . . . 64.21 109.42 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -59.81 -30.64 69.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 114.905 -1.043 . . . . 60.13 111.461 175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -63.35 -38.65 91.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.579 0.752 . . . . 72.3 112.012 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -66.19 -53.94 31.26 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.707 0.765 . . . . 55.34 110.192 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' HD11 ' A' ' 6' ' ' LEU . . . -76.01 -28.87 57.93 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.345 -1.298 . . . . 74.24 112.973 -170.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 12.1 pt-20 -66.4 -33.86 76.66 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.22 -42.75 93.14 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 123.092 0.557 . . . . 62.11 109.648 175.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 63.7 mmm -68.0 -24.73 65.16 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.498 0.719 . . . . 73.43 110.874 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -72.11 -35.79 69.27 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 123.097 0.559 . . . . 70.45 110.676 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.5 mtp180 -76.28 -24.12 54.42 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.272 -0.876 . . . . 71.0 110.105 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 -25.15 33.11 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.539 0.735 . . . . 61.45 110.145 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.8 t -64.53 -63.26 1.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.811 -1.086 . . . . 72.13 109.258 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.722 ' HB2' HD21 ' A' ' 13' ' ' LEU . 20.6 mm-40 -130.13 -75.65 0.54 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.443 0.697 . . . . 73.21 109.68 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 118.654 -0.689 . . . . 75.14 110.612 -168.452 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.538 -0.171 . . . . 53.43 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -70.71 -71.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 123.209 2.606 . . . . 74.03 111.986 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -119.81 11.81 11.97 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.79 0.836 . . . . 72.31 110.72 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.37 -46.22 87.52 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.126 0.57 . . . . 72.24 111.202 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.72 -40.83 97.72 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.1 0.96 . . . . 63.44 110.605 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.3 tm? -63.69 -54.46 35.17 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 113.548 -1.66 . . . . 71.01 110.051 -177.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -67.34 -38.87 85.54 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.674 0.79 . . . . 74.2 112.458 -170.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -62.34 -43.77 98.04 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 123.471 0.482 . . . . 73.3 110.915 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 36' ' ' GLU . 22.0 ttm180 -61.3 -34.76 75.74 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.399 1.08 . . . . 62.41 110.477 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' ' 15' ' ' MET . 26.5 mt -63.65 -43.97 95.19 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.747 0.655 . . . . 60.32 110.516 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -78.57 -27.93 45.82 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.901 -1.045 . . . . 72.35 112.188 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -75.54 -40.79 56.42 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.568 0.747 . . . . 51.01 109.362 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.64 -21.37 61.11 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.667 -0.494 . . . . 73.53 109.667 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.31 45.92 94.96 Favored Glycine 0 C--N 1.356 1.653 0 O-C-N 123.547 0.529 . . . . 62.21 111.996 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 10' ' ' LEU . 3.9 ptm -79.38 -168.19 1.44 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.2 1.0 . . . . 72.52 112.035 -165.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 45.0 m -69.92 137.89 51.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.169 0.588 . . . . 60.23 109.469 172.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -57.28 -36.54 71.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.451 0.7 . . . . 71.41 110.701 175.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.04 -38.55 82.62 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.701 0.8 . . . . 72.35 109.55 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.542 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.1 m -56.05 -52.33 64.63 Favored 'General case' 0 C--N 1.363 1.18 0 O-C-N 124.142 0.901 . . . . 63.22 109.353 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' HD13 ' A' ' 10' ' ' LEU . 59.6 mtm180 -54.69 -51.89 64.11 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 124.068 0.855 . . . . 73.21 112.027 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -56.2 -31.8 63.8 Favored 'General case' 0 CA--C 1.552 1.033 0 O-C-N 124.905 1.378 . . . . 74.34 111.786 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.82 -43.03 60.0 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.512 1.125 . . . . 73.41 111.174 174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 64.2 mt -75.96 -45.12 36.6 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.174 0.99 . . . . 74.42 112.065 -168.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.81 -33.02 68.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.292 1.037 . . . . 72.44 110.536 171.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -72.95 -43.53 62.2 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.503 0.721 . . . . 64.03 110.153 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.6 mmm -66.53 -29.04 69.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.408 0.683 . . . . 75.1 111.646 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.9 t -71.76 -47.89 50.48 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.846 0.858 . . . . 71.03 111.24 177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -80.07 -40.49 27.53 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.321 0.648 . . . . 73.53 111.526 -172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.47 12.69 36.87 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.147 0.979 . . . . 70.32 111.281 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.26 -114.77 0.41 Allowed Glycine 0 C--N 1.346 1.109 0 N-CA-C 111.055 -0.818 . . . . 41.54 111.055 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 p -128.99 138.65 52.08 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.867 0.867 . . . . 64.41 110.253 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -74.49 -31.49 62.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.314 1.045 . . . . 54.54 110.924 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.35 -37.76 83.75 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.815 0.846 . . . . 62.33 110.896 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -79.02 -27.64 43.24 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 123.272 0.357 . . . . 70.14 111.235 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.08 78.69 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.094 0.558 . . . . 53.44 110.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 13.1 pt-20 -73.6 -29.88 62.65 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.061 0.544 . . . . 45.24 110.98 178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -61.95 -37.17 83.7 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.083 0.953 . . . . 74.3 110.715 171.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.458 ' HA ' HD22 ' A' ' 41' ' ' ASN . 32.7 mmt -80.13 -28.21 38.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.574 0.35 . . . . 62.41 111.13 175.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.63 98.51 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.151 0.98 . . . . 64.44 112.211 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -58.17 -41.17 83.25 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 124.112 0.883 . . . . 71.31 110.669 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 38' ' ' MET . 67.4 m-80 -65.46 -22.65 66.77 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 113.597 0.962 . . . . 64.22 113.597 -173.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.7 t -68.89 -36.39 78.01 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.247 0.619 . . . . 74.0 111.393 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -101.21 -48.06 4.52 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.739 0.816 . . . . 72.44 110.087 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 CA--C 1.554 1.132 0 C-N-CA 124.787 1.235 . . . . 73.53 109.49 177.479 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 119.017 -0.516 . . . . 74.14 110.221 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.63 -69.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.382 2.308 0 C-N-CA 122.424 2.083 . . . . 74.12 112.554 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -137.06 27.25 2.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.85 0.86 . . . . 70.33 109.64 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -62.43 -44.32 96.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.882 0.473 . . . . 75.45 110.728 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 8.7 p-10 -76.49 -33.86 58.65 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 122.944 0.498 . . . . 71.1 110.117 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.0 tm? -62.89 -47.33 83.79 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.358 1.063 . . . . 64.43 110.71 -175.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -64.38 -29.68 70.74 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.472 0.709 . . . . 64.43 111.061 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -73.83 -33.29 64.09 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 115.701 -0.681 . . . . 75.45 111.075 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 62.7 mtt180 -63.49 -35.5 80.67 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.94 0.4 . . . . 75.22 110.003 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD22 ' HA ' ' A' ' 20' ' ' ARG . 29.0 mt -62.08 -50.26 72.65 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.803 -0.635 . . . . 75.51 110.434 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -84.52 -52.63 5.99 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.814 -1.084 . . . . 70.5 113.539 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -68.68 -42.97 77.07 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.918 0.887 . . . . 72.31 111.654 -172.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 28.0 tp -73.79 -21.04 60.3 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 116.01 -0.541 . . . . 54.33 109.811 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.28 57.82 10.82 Favored Glycine 0 C--N 1.356 1.679 0 O-C-N 123.831 0.707 . . . . 62.45 113.331 172.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 23' ' ' LEU . 18.4 ptp -86.33 -171.05 3.36 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.696 0.798 . . . . 71.42 110.324 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 62.6 m -68.9 149.82 48.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 122.761 0.425 . . . . 74.21 110.36 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.736 ' HG3' HH21 ' A' ' 20' ' ' ARG . 36.3 tt0 -55.04 -39.22 68.93 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.502 0.721 . . . . 74.2 110.842 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.79 -43.03 89.96 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.306 1.042 . . . . 74.53 109.38 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 94.7 m -59.56 -51.47 69.72 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.084 0.865 . . . . 65.3 109.385 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.736 HH21 ' HG3' ' A' ' 17' ' ' GLU . 54.2 mtm180 -52.76 -55.12 25.08 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.516 0.726 . . . . 74.22 111.3 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.88 -43.16 94.9 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 113.847 -1.524 . . . . 74.4 110.64 -173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 26' ' ' MET . 72.4 mtt180 -64.04 -46.55 83.92 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 124.36 1.038 . . . . 74.11 110.726 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD12 ' SD ' ' A' ' 15' ' ' MET . 53.6 mt -68.41 -44.53 74.83 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.832 0.853 . . . . 73.31 112.589 -167.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -69.02 -31.48 70.32 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.514 0.509 . . . . 73.24 109.856 177.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.69 -40.57 79.98 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.933 0.893 . . . . 53.54 109.392 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 89.8 mtp -76.46 -29.34 56.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.345 1.058 . . . . 72.03 110.847 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.7 -32.14 67.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.621 0.768 . . . . 42.43 110.599 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -79.69 -58.2 3.3 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 108.85 -0.796 . . . . 71.22 108.85 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -100.28 89.63 4.05 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.635 -1.166 . . . . 73.15 108.481 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.36 -128.0 5.45 Favored Glycine 0 C--O 1.241 0.573 0 N-CA-C 109.578 -1.409 . . . . 62.24 109.578 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -139.42 150.93 45.83 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.819 0.809 . . . . 65.32 111.142 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -69.27 -26.7 64.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.259 1.024 . . . . 61.52 109.561 168.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -62.72 -38.46 90.55 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.994 -1.457 . . . . 74.32 111.294 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.73 -36.89 25.39 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.419 0.688 . . . . 74.44 110.842 175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.58 98.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.068 0.547 . . . . 73.34 111.803 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.67 -29.75 68.28 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.449 0.7 . . . . 74.4 112.001 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -68.14 -38.21 81.94 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.816 0.846 . . . . 70.2 110.512 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.7 mmt -79.98 -24.78 40.68 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.045 -0.525 . . . . 71.03 110.526 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.87 75.12 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.128 0.971 . . . . 74.02 111.461 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -72.72 -30.52 64.26 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.054 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -89.65 -0.94 57.85 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.824 0.85 . . . . 33.52 112.026 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 42.7 t -62.67 -72.65 0.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 122.709 0.404 . . . . 75.04 110.4 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.91 26.89 2.03 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.436 0.694 . . . . 72.54 111.624 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.254 1.293 0 CA-C-O 118.513 -0.756 . . . . 63.24 109.067 -175.745 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.61 -0.515 . . . . 72.24 109.61 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.99 58.14 6.41 Favored 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 123.309 2.673 . . . . 55.32 113.249 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 6' ' ' LEU . 20.7 t 65.04 27.87 12.5 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.815 1.246 . . . . 72.22 112.053 172.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.0 -51.04 61.92 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.3 0.64 . . . . 72.12 109.749 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 23.8 t70 -58.2 -41.89 84.96 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 114.145 -1.389 . . . . 70.24 111.753 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 8.0 tt -75.68 -47.82 24.62 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 123.754 0.658 . . . . 73.42 110.368 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE2' ' HB2' ' A' ' 24' ' ' GLU . 39.1 ttmt -62.88 -38.95 92.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.441 0.534 . . . . 63.43 112.441 -174.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.66 -34.42 78.25 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.559 0.343 . . . . 74.15 110.668 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 80.4 mtt-85 -61.33 -45.26 95.18 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 123.195 0.598 . . . . 73.01 110.897 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 20' ' ' ARG . 55.5 mt -57.01 -46.52 82.25 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.587 0.755 . . . . 60.23 111.048 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -73.45 -40.08 64.45 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.648 -1.16 . . . . 74.35 111.348 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -35.61 77.18 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.652 0.781 . . . . 73.22 109.158 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.13 -23.05 60.43 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.072 0.949 . . . . 73.44 110.036 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.81 52.91 10.5 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.829 -0.623 . . . . 54.44 113.124 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.541 ' SD ' ' SG ' ' A' ' 19' ' ' CYS . 11.6 ptp -83.16 172.95 12.12 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 108.826 -0.805 . . . . 74.5 108.826 170.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -60.43 151.07 29.12 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 122.92 0.488 . . . . 51.32 110.301 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.09 -24.22 67.61 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.224 0.21 . . . . 74.43 110.909 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.97 -36.95 62.02 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 119.413 -0.327 . . . . 75.44 110.778 170.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' SG ' ' SD ' ' A' ' 15' ' ' MET . 43.3 t -61.27 -52.93 62.65 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 122.837 0.455 . . . . 75.31 110.591 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.07 -31.8 72.89 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.566 -0.743 . . . . 71.02 111.871 -178.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -71.12 -27.55 63.66 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.394 0.678 . . . . 70.41 111.922 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -69.35 -49.39 56.07 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.757 0.823 . . . . 75.15 110.202 171.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' SD ' ' A' ' 15' ' ' MET . 87.9 mt -75.37 -43.1 52.18 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 114.891 -1.049 . . . . 75.21 112.407 -167.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 12.1 pt-20 -63.75 -30.89 71.93 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.279 0.632 . . . . 64.4 110.461 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -67.8 -50.31 57.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.993 1.317 . . . . 72.44 110.348 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' ' HG3' ' A' ' 38' ' ' MET . 78.9 mtp -66.89 -28.45 68.33 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.538 0.735 . . . . 71.32 110.881 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.462 ' SG ' HD13 ' A' ' 6' ' ' LEU . 49.4 t -65.49 -42.31 92.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.741 1.216 . . . . 60.53 112.122 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HG3' ' HG3' ' A' ' 29' ' ' GLU . 17.4 ptpt -95.55 -49.79 5.25 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.141 -0.481 . . . . 71.05 111.43 -177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.529 ' HG3' ' HG3' ' A' ' 28' ' ' LYS . 44.0 mt-10 -85.36 -3.24 58.78 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.269 0.628 . . . . 72.23 111.997 -174.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.0 -108.97 1.66 Allowed Glycine 0 N--CA 1.469 0.878 0 N-CA-C 109.015 -1.634 . . . . 64.21 109.015 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.6 p -136.95 155.09 50.19 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.537 0.735 . . . . 61.0 109.185 168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 m -62.31 -22.49 66.09 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 115.996 -0.547 . . . . 75.15 111.253 171.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.78 -43.31 93.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.23 1.012 . . . . 51.33 110.325 172.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.39 -32.51 74.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.667 0.787 . . . . 73.33 111.763 176.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.44 -51.44 36.26 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 123.561 0.538 . . . . 74.21 111.489 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.41 -31.55 72.38 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 120.846 0.355 . . . . 75.31 111.125 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -58.66 -53.38 59.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.107 1.363 . . . . 53.44 111.041 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.449 ' HG3' ' SD ' ' A' ' 26' ' ' MET . 30.8 mmt -78.23 -20.01 52.62 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.915 0.486 . . . . 70.34 111.399 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.56 84.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.446 0.698 . . . . 74.33 111.282 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -75.72 -6.16 49.19 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.712 0.405 . . . . 71.02 111.641 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -99.03 -15.51 19.03 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.973 0.909 . . . . 74.03 109.794 171.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -93.85 -72.96 0.59 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.716 -0.846 . . . . 60.1 108.716 175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -118.75 -72.7 0.67 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.028 0.931 . . . . 75.03 109.95 173.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 CA--C 1.559 1.32 0 C-N-CA 124.191 0.996 . . . . 74.45 108.988 -175.63 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 109.721 -0.474 . . . . 51.44 109.721 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -60.33 -50.35 7.31 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.937 2.425 . . . . 42.21 113.059 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.6 t -148.21 7.07 0.79 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.09 0.556 . . . . 63.14 110.281 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 27.4 mt-10 -69.59 -50.0 48.73 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.47 0.708 . . . . 51.43 109.706 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -57.41 -43.11 83.48 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.448 1.093 . . . . 72.25 110.614 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.3 tt -66.75 -46.77 74.33 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.85 0.719 . . . . 71.22 110.964 -176.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.91 -39.7 94.78 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.882 0.372 . . . . 74.21 111.01 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -31.01 68.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.642 -0.708 . . . . 61.5 111.207 175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -65.34 -35.96 82.56 Favored 'General case' 0 C--O 1.216 -0.708 0 C-N-CA 123.82 0.848 . . . . 73.34 109.711 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 41.5 mt -65.21 -46.72 79.56 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.965 0.791 . . . . 73.14 109.931 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -65.12 -33.37 75.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.85 -1.068 . . . . 75.44 110.673 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -76.08 -37.06 58.65 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.248 1.019 . . . . 71.15 111.429 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 tp -82.35 -24.44 34.53 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.678 0.791 . . . . 74.04 110.151 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.92 102.56 0.1 OUTLIER Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.424 -0.807 . . . . 50.0 113.402 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 0.6 OUTLIER -142.66 165.15 28.18 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.664 0.786 . . . . 74.34 109.362 166.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 49.0 m -53.84 150.85 7.07 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.96 0.904 . . . . 74.05 110.178 179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.584 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 36.3 tt0 -61.08 -37.35 82.38 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-N 118.647 0.658 . . . . 71.34 111.297 -173.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -55.75 -31.96 63.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.951 1.3 . . . . 73.4 111.489 174.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 16.6 t -72.44 -50.88 23.02 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 108.641 -0.874 . . . . 54.52 108.641 -174.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.91 -32.83 74.2 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 110.218 -0.29 . . . . 73.44 110.218 -178.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 17' ' ' GLU . 77.6 mt-30 -60.21 -38.57 83.72 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 124.139 0.899 . . . . 73.12 110.359 175.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.05 -38.92 63.84 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.857 0.863 . . . . 73.43 110.747 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 83.0 mt -73.09 -47.92 40.29 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.363 0.665 . . . . 74.02 110.568 -172.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 10.4 pt-20 -62.04 -32.08 72.56 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 122.844 0.458 . . . . 64.05 110.519 174.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -64.55 -41.81 96.1 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.955 0.502 . . . . 73.51 110.115 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.706 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 28.4 mmt -74.09 -35.23 64.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.968 -1.015 . . . . 72.51 110.824 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.4 t -70.6 -26.07 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.654 1.182 . . . . 55.22 111.861 -176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 24' ' ' GLU . 88.6 mttt -101.03 -64.32 1.06 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.707 0.803 . . . . 74.13 108.97 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.5 75.13 5.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 121.923 0.868 . . . . 73.34 109.253 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.95 -122.82 1.42 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 109.196 -1.562 . . . . 42.34 109.196 -174.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.2 p -142.86 152.83 42.56 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.117 0.967 . . . . 51.53 109.169 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' HB3' HD13 ' A' ' 6' ' ' LEU . 14.9 m -61.17 -13.87 21.0 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.726 0.81 . . . . 63.21 111.564 176.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 37.8 mm-40 -60.76 -51.39 69.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.075 0.95 . . . . 41.43 111.403 171.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.706 ' HB2' ' HB3' ' A' ' 26' ' ' MET . 26.5 m-20 -59.86 -38.91 83.46 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.473 0.654 . . . . 75.33 110.364 -179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.03 -50.85 72.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.852 -1.522 . . . . 41.53 112.143 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.36 -32.77 68.89 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 123.144 0.278 . . . . 72.42 111.69 -174.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 30.8 mmt180 -67.89 -39.62 83.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.646 0.378 . . . . 65.4 110.256 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.4 mmt -78.29 -28.55 47.58 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.291 -0.413 . . . . 72.43 110.188 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.04 -46.35 74.67 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.775 0.83 . . . . 35.25 112.196 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -70.34 -32.13 69.71 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.54 -0.754 . . . . 72.2 111.317 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -84.01 -13.07 54.18 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.914 0.486 . . . . 72.25 110.949 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 15' ' ' MET . 33.8 t -80.26 -78.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.214 -1.032 . . . . 62.34 108.214 174.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 38.04 88.57 0.01 OUTLIER 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.48 1.512 . . . . 42.22 112.615 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 15' ' ' MET . 15.4 t . . . . . 0 C--O 1.255 1.391 0 C-N-CA 125.361 1.464 . . . . 64.41 109.547 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 118.786 -0.626 . . . . 62.43 109.951 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 1' ' ' ALA . 21.5 Cg_exo -66.74 -63.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.935 2.423 . . . . 74.32 113.146 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m -142.11 19.36 2.1 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.61 0.764 . . . . 51.35 110.367 -175.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.62 -51.18 70.5 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 113.248 0.833 . . . . 70.41 113.248 -170.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.55 -39.63 88.65 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.051 0.54 . . . . 75.42 110.544 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.1 tt -68.77 -36.31 78.16 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 114.797 -1.092 . . . . 71.54 110.741 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -61.67 -39.55 91.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 64.4 110.398 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.87 -27.03 49.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.235 -0.893 . . . . 74.2 110.959 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -66.36 -31.23 71.88 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.791 0.436 . . . . 65.54 110.944 171.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 20' ' ' ARG . 76.4 mt -61.09 -48.9 79.54 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.861 0.465 . . . . 51.32 110.372 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -28.45 38.06 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 115.404 -0.816 . . . . 73.32 112.455 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -74.78 -44.85 47.4 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 123.21 0.604 . . . . 72.43 111.58 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -77.89 -23.89 48.61 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 114.798 -1.092 . . . . 74.52 108.103 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.67 44.62 93.96 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.019 0.824 . . . . 70.0 112.913 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.1 ptp -74.48 -171.04 1.13 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.183 0.593 . . . . 74.0 110.789 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.588 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 16.7 m -58.93 135.54 57.61 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.746 -0.464 . . . . 64.34 109.746 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.61 -33.3 72.55 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.937 0.495 . . . . 54.5 110.805 -177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.7 -39.47 76.88 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 124.116 0.885 . . . . 61.52 109.686 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.619 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 83.6 m -57.57 -52.71 64.3 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 124.063 0.852 . . . . 75.41 109.573 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' HD22 ' A' ' 10' ' ' LEU . 59.1 mtm180 -52.64 -47.07 67.32 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.296 0.997 . . . . 73.33 111.777 -175.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -66.05 -38.12 87.57 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.475 -1.239 . . . . 73.42 111.139 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' MET . 9.8 mpt_? -62.79 -38.23 89.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.089 0.555 . . . . 54.23 110.463 171.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 78.9 mt -75.01 -34.2 61.89 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.331 0.652 . . . . 65.43 111.794 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.08 -40.47 85.36 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.187 -0.672 . . . . 74.24 109.187 168.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -70.44 -37.35 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.016 -0.538 . . . . 73.23 111.23 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.7 mmt -71.29 -30.49 66.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.961 0.504 . . . . 74.35 110.696 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 46.9 t -74.33 -49.54 22.51 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.652 -0.703 . . . . 64.33 110.549 177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -78.01 -35.23 50.19 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.746 0.819 . . . . 63.13 111.647 -171.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -108.16 24.29 13.2 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.856 0.862 . . . . 70.35 110.636 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.13 -111.93 0.26 Allowed Glycine 0 C--N 1.344 1.024 0 N-CA-C 109.762 -1.335 . . . . 73.34 109.762 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.2 p -141.06 153.81 45.65 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 108.752 -0.833 . . . . 75.33 108.752 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 74.2 p -63.67 -26.74 68.8 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.547 0.53 . . . . 72.42 110.843 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.19 -45.65 90.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.876 0.87 . . . . 61.1 110.907 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -66.89 -38.85 87.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.109 0.564 . . . . 75.42 110.893 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -67.6 -46.7 71.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.404 -0.816 . . . . 71.33 111.913 -174.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.06 -29.37 67.49 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.65 0.262 . . . . 72.44 110.493 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -65.37 -34.79 79.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.898 0.479 . . . . 74.51 110.943 173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.8 mmt -80.36 -23.88 40.2 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.85 -0.531 . . . . 72.32 110.911 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 23' ' ' LEU . . . -65.98 -43.36 88.05 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.573 0.749 . . . . 75.24 111.848 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -69.41 -14.24 62.79 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.202 -0.908 . . . . 65.43 111.518 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -96.33 -14.8 22.28 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.485 0.714 . . . . 73.41 110.817 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.3 -54.32 5.33 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.941 0.496 . . . . 74.54 110.52 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 60.24 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.759 1.224 . . . . 72.2 111.072 -170.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 125.572 1.549 . . . . 64.4 108.374 -179.112 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 109.68 -0.489 . . . . 41.52 109.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -69.72 -40.24 5.63 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.516 2.144 . . . . 74.45 113.026 -172.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.4 m -110.91 -13.52 14.11 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.272 0.841 . . . . 72.1 113.272 -171.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -70.8 -45.62 64.3 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 118.872 0.76 . . . . 63.21 111.62 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.44 -37.07 82.19 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.392 0.677 . . . . 72.32 110.572 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.717 HD21 ' HB3' ' A' ' 23' ' ' LEU . 8.9 tt -74.63 -34.07 62.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.909 -1.041 . . . . 74.42 110.33 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.3 -37.26 86.86 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.981 0.512 . . . . 60.13 109.745 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -66.95 -30.49 70.64 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.751 -0.659 . . . . 73.35 110.767 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -67.41 -37.69 83.46 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.492 0.317 . . . . 74.25 110.386 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 ' HG2' ' A' ' 20' ' ' ARG . 55.4 mt -65.15 -44.44 88.59 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.733 0.413 . . . . 71.43 110.537 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -74.38 -51.61 14.55 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.223 0.609 . . . . 75.43 111.747 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -74.9 -42.53 57.63 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.694 0.798 . . . . 65.22 110.626 -169.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.5 tp -78.16 -25.6 47.35 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.721 -0.218 . . . . 75.11 110.514 -177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.16 65.16 3.74 Favored Glycine 0 C--N 1.359 1.839 0 O-C-N 123.692 0.62 . . . . 50.23 113.047 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.76 -167.97 2.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.366 0.666 . . . . 74.51 110.605 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.574 ' HB2' ' SG ' ' A' ' 19' ' ' CYS . 34.7 m -67.63 145.21 55.06 Favored 'General case' 0 C--O 1.242 0.701 0 N-CA-C 110.144 -0.317 . . . . 74.14 110.144 174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.52 -33.2 74.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.232 0.613 . . . . 73.1 110.727 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.42 -45.28 84.51 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.008 0.923 . . . . 65.22 108.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 16' ' ' SER . 72.9 m -56.96 -46.42 82.17 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.387 1.054 . . . . 63.34 110.036 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 10' ' ' LEU . 23.6 mtm180 -51.11 -50.77 58.18 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.674 1.234 . . . . 73.34 111.798 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -62.01 -35.41 78.48 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.345 1.653 . . . . 71.04 110.849 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.17 -34.77 68.72 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.454 0.702 . . . . 70.2 110.172 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' HD21 ' A' ' 6' ' ' LEU . 86.6 mt -76.73 -28.57 55.85 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.648 0.61 . . . . 74.12 112.648 -177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -57.0 -53.14 61.49 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.509 1.13 . . . . 61.33 108.274 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.65 -37.91 55.49 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.123 -1.399 . . . . 73.35 110.549 -169.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mmt -66.07 -28.09 68.57 Favored 'General case' 0 C--O 1.213 -0.843 0 C-N-CA 122.673 0.389 . . . . 63.45 110.576 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HB2' HD13 ' A' ' 6' ' ' LEU . 43.7 t -75.19 -50.45 16.18 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.126 0.488 . . . . 73.51 110.936 171.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -81.92 -65.52 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.521 1.128 . . . . 72.24 111.996 -165.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.82 13.59 17.9 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.36 0.664 . . . . 72.12 110.442 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.49 -149.34 5.79 Favored Glycine 0 C--N 1.354 1.582 0 N-CA-C 111.55 -0.62 . . . . 53.21 111.55 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.5 p -113.71 118.32 33.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.47 1.108 . . . . 53.01 109.461 177.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -61.77 -24.51 66.88 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.539 1.136 . . . . 62.51 111.897 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.2 -32.26 68.63 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.758 0.823 . . . . 75.43 111.296 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 2.2 m-20 -79.25 -36.43 39.9 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.657 0.383 . . . . 72.31 110.088 172.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.49 95.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.863 0.865 . . . . 73.23 112.178 -175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.36 -30.04 70.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.002 0.521 . . . . 72.32 110.89 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -70.83 -46.74 62.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.59 0.756 . . . . 74.11 109.623 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.542 ' HA ' ' HB2' ' A' ' 41' ' ' ASN . 69.9 mmm -63.1 -23.95 67.67 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.29 0.636 . . . . 72.52 111.359 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.531 ' HA ' HD11 ' A' ' 23' ' ' LEU . . . -61.05 -41.96 97.59 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.782 0.833 . . . . 75.11 110.565 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.27 -43.31 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 114.904 -1.044 . . . . 74.41 109.59 173.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.542 ' HB2' ' HA ' ' A' ' 38' ' ' MET . 0.9 OUTLIER -63.49 -23.49 67.42 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.518 0.727 . . . . 74.11 112.0 -175.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.2 t -55.86 -47.12 77.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.701 0.8 . . . . 74.21 111.529 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -154.59 -45.9 0.09 Allowed 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.493 0.496 . . . . 74.44 110.891 -175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.564 1.501 0 C-N-CA 123.923 0.889 . . . . 74.32 111.723 -174.026 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.196 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.71 -65.37 0.18 Allowed 'Trans proline' 0 C--N 1.393 2.888 0 C-N-CA 123.832 3.021 . . . . 52.4 114.637 -176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 m -139.84 31.78 2.02 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.041 0.936 . . . . 73.42 110.814 -172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 3.7 tm-20 -60.25 -52.13 66.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.044 -0.724 . . . . 75.31 109.044 173.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -63.44 -47.78 80.44 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 115.32 -0.855 . . . . 62.2 110.475 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 tt -54.59 -44.49 73.06 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.681 1.192 . . . . 61.23 111.295 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 37.2 ttmt -67.96 -36.54 80.26 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.959 0.787 . . . . 71.11 111.575 -174.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 13.9 mm-40 -67.64 -36.17 80.27 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.036 -0.529 . . . . 72.11 110.536 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -65.83 -37.26 85.77 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.398 1.061 . . . . 73.24 110.851 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 23' ' ' LEU . 30.2 mt -56.98 -48.28 78.76 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.868 0.73 . . . . 65.5 109.631 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -78.38 -27.79 46.9 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.194 -0.912 . . . . 74.14 111.661 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -65.26 -43.76 90.26 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.529 0.732 . . . . 73.13 111.37 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.35 -12.24 20.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.068 0.547 . . . . 64.23 110.556 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.43 -61.87 0.87 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 111.179 -0.768 . . . . 74.2 111.179 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.708 ' HA ' ' HB2' ' A' ' 44' ' ' SER . 22.7 ttm 61.98 158.64 0.06 Allowed 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 126.516 1.926 . . . . 61.14 112.724 -178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m -62.04 136.38 57.93 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.283 -1.006 . . . . 73.24 108.283 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.0 -28.03 55.48 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.658 0.599 . . . . 74.52 111.248 -178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 44.2 tt0 -76.01 -41.18 51.86 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.599 -0.519 . . . . 74.52 109.599 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.585 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 61.5 m -62.43 -54.3 42.21 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 123.605 0.566 . . . . 73.4 111.01 -175.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.32 73.87 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 111.755 0.28 . . . . 74.24 111.755 -176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -67.97 -32.75 73.38 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.98 0.512 . . . . 65.33 110.989 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' O ' ' HG2' ' A' ' 26' ' ' MET . 75.4 mtt180 -62.75 -46.68 86.92 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.036 0.534 . . . . 71.54 109.721 171.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 61.1 mt -70.81 -43.4 68.69 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.653 0.781 . . . . 62.32 111.91 -169.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.72 -38.41 75.22 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.728 0.643 . . . . 64.34 109.973 169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -68.67 -33.24 73.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.915 0.486 . . . . 62.4 110.383 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 71.7 mmm -75.57 -31.5 60.02 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 108.766 -0.828 . . . . 61.41 108.766 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.25 -36.84 69.17 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.777 0.831 . . . . 73.42 112.536 178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -95.71 -40.84 9.17 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.263 0.554 . . . . 64.22 111.399 -172.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -113.11 14.82 19.58 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.418 1.087 . . . . 73.43 110.944 -169.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.48 -118.47 0.66 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 111.597 -0.601 . . . . 75.21 111.597 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.5 p -133.79 135.16 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.482 1.113 . . . . 64.13 109.28 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 p -63.28 -27.84 69.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.87 1.268 . . . . 73.43 111.866 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.36 -38.09 81.09 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.116 0.966 . . . . 73.32 110.947 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -80.11 -24.97 40.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.637 0.375 . . . . 70.31 110.414 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -60.63 -48.65 80.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.335 0.654 . . . . 43.01 111.281 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -67.99 -30.33 69.58 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.076 0.55 . . . . 70.1 110.625 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.75 -38.67 91.98 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.169 0.988 . . . . 61.22 110.655 174.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.05 -26.04 53.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.191 0.596 . . . . 74.4 110.817 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.11 90.05 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.908 0.883 . . . . 72.21 110.938 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -80.11 9.01 6.06 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 115.297 -0.865 . . . . 55.44 111.872 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -114.83 -9.98 12.43 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.964 0.906 . . . . 71.22 110.754 173.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.5 t -94.82 -66.69 0.9 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.02 -0.733 . . . . 71.13 109.02 168.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.86 67.72 0.92 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.728 1.211 . . . . 75.23 112.815 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.708 ' HB2' ' HA ' ' A' ' 15' ' ' MET . 12.8 m . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.373 -0.602 . . . . 65.11 109.373 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 109.535 -0.543 . . . . 74.24 109.535 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.99 88.02 0.18 Allowed 'Trans proline' 0 C--N 1.382 2.338 0 C-N-CA 123.367 2.711 . . . . 74.13 112.168 -172.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.4 t 78.99 -21.52 0.33 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.737 2.015 . . . . 73.11 111.841 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.62 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 38.2 tt0 -57.9 -47.68 82.09 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 124.006 0.922 . . . . 72.11 111.534 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 19.5 t70 -57.11 -36.99 71.32 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 124.294 0.996 . . . . 71.44 111.005 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 3.8 tt -72.92 -51.39 18.7 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.496 -0.775 . . . . 74.11 109.038 -178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 20.5 mtpp -56.64 -52.68 63.97 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.13 1.372 . . . . 72.45 112.892 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.96 -37.61 77.17 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.719 0.807 . . . . 55.01 110.238 -175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 55.8 mtm180 -68.24 -43.76 77.19 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 118.312 -0.851 . . . . 75.21 110.521 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 60.6 mt -55.48 -42.36 74.25 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 123.739 0.649 . . . . 74.51 110.851 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HH11 ' A' ' 20' ' ' ARG . 48.6 mtmt -70.6 -45.43 65.31 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 114.555 -1.202 . . . . 73.03 111.06 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -69.25 -30.95 69.2 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.477 0.711 . . . . 62.24 111.191 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 13.9 tp -74.98 -21.31 59.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.967 1.307 . . . . 74.1 109.967 -173.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.05 55.52 10.48 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-N 115.693 -0.685 . . . . 75.22 113.851 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.8 ptp -94.92 -164.07 1.12 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.938 -0.764 . . . . 64.45 108.938 171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -81.29 145.16 31.04 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.922 -0.77 . . . . 53.34 108.922 171.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 47.0 mt-10 -59.24 -31.46 69.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.416 0.686 . . . . 61.2 111.713 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.93 -38.87 89.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.263 0.977 . . . . 55.34 109.392 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 35.7 m -59.87 -52.4 65.59 Favored 'General case' 0 C--N 1.363 1.168 0 O-C-N 123.917 0.761 . . . . 71.33 109.102 175.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.674 HH11 ' HG2' ' A' ' 11' ' ' LYS . 78.6 mtm180 -52.44 -52.17 55.43 Favored 'General case' 0 N--CA 1.481 1.104 0 O-C-N 124.468 1.105 . . . . 75.1 111.366 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.43 -30.9 71.93 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.617 1.198 . . . . 64.44 111.391 -173.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -70.07 -36.24 74.82 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.047 0.939 . . . . 70.24 110.542 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 19' ' ' CYS . 63.9 mt -74.51 -39.11 62.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.788 0.835 . . . . 73.33 110.717 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HG2' ' HG2' ' A' ' 7' ' ' LYS . 43.0 mt-10 -66.35 -30.99 71.51 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.83 1.252 . . . . 75.05 110.267 172.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -71.94 -39.44 69.42 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 109.192 -0.67 . . . . 75.34 109.192 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.5 mmt -67.15 -33.7 75.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.279 0.631 . . . . 72.43 110.809 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.0 -25.29 66.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.506 1.122 . . . . 74.22 111.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -105.45 -45.99 4.31 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.968 0.907 . . . . 73.23 111.943 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -91.08 -27.33 18.66 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 124.121 0.968 . . . . 71.43 111.488 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.77 -131.24 3.9 Favored Glycine 0 C--N 1.349 1.295 0 N-CA-C 111.396 -0.682 . . . . 75.42 111.396 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 40.6 p -113.89 163.05 15.6 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.486 -0.561 . . . . 75.3 109.486 177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -62.17 -29.57 70.45 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.563 -0.744 . . . . 74.44 110.681 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 17.6 mt-10 -64.29 -43.33 95.09 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.312 0.382 . . . . 71.0 111.659 178.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -56.22 -30.58 62.53 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 120.974 0.416 . . . . 72.24 111.515 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' O ' HD22 ' A' ' 23' ' ' LEU . . . -71.8 -50.19 32.03 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.015 0.926 . . . . 63.04 111.444 175.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 11.6 pt-20 -69.24 -30.25 68.35 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 111.54 0.2 . . . . 65.11 111.54 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 74.1 mtt-85 -60.19 -53.6 55.83 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 123.616 0.767 . . . . 72.12 109.544 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 mmt -75.83 -19.76 58.68 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.505 -0.77 . . . . 63.55 111.802 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.99 -46.36 65.34 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.745 0.418 . . . . 71.32 110.809 174.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -78.56 -3.86 45.85 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 115.847 -0.615 . . . . 73.23 111.705 -178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -122.04 6.47 9.78 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.436 0.694 . . . . 75.42 111.276 173.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.48 -62.34 1.56 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.803 0.441 . . . . 62.51 110.593 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -172.43 -50.64 0.02 OUTLIER 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.419 -0.956 . . . . 75.01 108.419 -167.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.917 -1.492 . . . . 73.43 110.45 179.145 . . . . . . . . 0 0 . 1 stop_ save_