data_1byy_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 1byy _Structure_validation_residue.Date_analyzed 2016-10-06 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 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.464 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.407 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.427 ' CD1' ' HE2' ' A' 1501 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.461 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.439 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.982 0.896 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.439 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.445 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.443 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.443 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.46 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' 1501 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.464 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1493 ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1494 ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.455 ' CZ ' ' CE ' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.485 ' CD1' ' HE2' ' A' 1501 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' 1498 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.452 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.493 0.663 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.452 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.442 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.437 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.445 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.437 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1497 ' ' TYR . . . . . 0.483 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CZ ' ' A' 1498 ' ' TYR . 61.2 mtp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1498 ' ' TYR . . . . . 0.457 ' CZ ' ' CE ' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1501 ' ' MET . . . . . 0.451 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.447 0.641 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.17 -168.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 25.0 mt -65.66 94.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.53 -0.731 . . . . 0.0 109.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -178.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.5 -0.75 . . . . 0.0 110.423 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm -70.94 -164.79 0.1 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.464 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm -90.4 -23.35 21.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1503 ' ' LYS . . . . . 0.404 ' O ' ' HG ' ' A' 1504 ' ' LEU . 0.0 OUTLIER 62.61 80.71 0.22 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.412 -0.805 . . . . 0.0 109.348 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1504 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 1503 ' ' LYS . 1.0 OUTLIER 28.69 42.15 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.8 0 C-N-CA 123.586 0.754 . . . . 0.0 112.763 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -73.75 -39.27 48.5 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.587 -0.949 . . . . 0.0 109.495 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.3 0.571 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' 1489 ' ' PHE . 0.3 OUTLIER -93.61 -168.08 1.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 4.4 tt -93.82 47.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 109.704 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' 1487 ' ' ASP . 14.8 p90 -177.86 173.44 1.56 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.675 -0.641 . . . . 0.0 109.643 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.407 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp -150.61 137.12 18.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.427 ' CD1' ' HE2' ' A' 1501 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.461 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -90.04 -28.74 18.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 3.5 mmmt 58.27 75.74 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.575 -0.703 . . . . 0.0 109.993 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 35.53 34.85 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.456 0.646 . . . . 0.0 112.11 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 61.67 78.13 0.17 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.507 -0.996 . . . . 0.0 109.496 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.341 0.591 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -83.93 -171.53 3.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1488 ' ' ILE . . . . . 0.4 ' O ' ' CD2' ' A' 1489 ' ' PHE . 5.6 tp -67.2 90.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.567 -0.708 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1489 ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' 1488 ' ' ILE . 0.3 OUTLIER -175.18 54.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.592 -0.692 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.439 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp -78.82 87.61 4.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.259 -0.9 . . . . 0.0 109.03 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.439 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.445 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -17.02 60.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -95.79 44.04 1.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 109.992 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 3.1 pp -166.44 32.98 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.543 -0.723 . . . . 0.0 109.499 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -174.7 36.26 0.11 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.607 -0.937 . . . . 0.0 109.648 -179.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.752 0.787 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -118.67 32.72 5.98 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 67.9 mt -121.11 30.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-O 121.621 0.724 . . . . 0.0 109.205 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 10.5 p90 174.66 -175.55 0.08 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.464 -0.773 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp -146.97 137.93 23.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.599 -0.688 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.443 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.449 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.443 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt -79.59 -3.03 45.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.04 37.19 1.33 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.127 -0.983 . . . . 0.0 109.584 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.69 -30.77 63.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.584 -0.697 . . . . 0.0 109.568 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 123.71 57.45 0.19 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.631 -0.923 . . . . 0.0 109.517 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.509 2.494 0 CA-C-O 121.368 0.604 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -120.02 35.39 4.87 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 11.5 mt 57.69 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.373 0.606 . . . . 0.0 110.115 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 9.1 p90 -57.46 -173.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.601 -0.687 . . . . 0.0 109.64 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.46 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm -120.92 129.59 53.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.635 -0.666 . . . . 0.0 109.359 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' 1501 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.464 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm -85.98 -29.91 23.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1503 ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' 1504 ' ' LEU . 0.5 OUTLIER 61.12 34.76 18.9 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.515 -0.74 . . . . 0.0 109.679 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1504 ' ' LEU . . . . . 0.432 ' CG ' ' O ' ' A' 1503 ' ' LYS . 0.4 OUTLIER 91.66 -35.75 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 123.795 0.838 . . . . 0.0 109.774 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 114.37 96.5 2.15 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.683 -0.893 . . . . 0.0 109.377 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.489 0.662 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 23.5 m-20 61.62 37.11 16.35 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.789 -0.57 . . . . 0.0 109.479 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 10.5 tt 44.45 32.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 111.352 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.46 125.83 20.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.584 -0.697 . . . . 0.0 109.784 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp -116.06 90.62 3.38 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1494 ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.455 ' CZ ' ' CE ' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.485 ' CD1' ' HE2' ' A' 1501 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' 1498 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.89 59.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 37.7 mttt -95.73 38.47 1.16 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.5 pp -173.44 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -146.99 89.36 0.15 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 109.497 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 121.323 0.582 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -163.66 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.569 -0.707 . . . . 0.0 109.111 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 8.8 tt -98.34 27.02 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 110.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 48.4 p90 179.92 139.14 0.12 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.761 -0.587 . . . . 0.0 109.788 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.452 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp -153.55 104.66 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.584 -0.698 . . . . 0.0 109.231 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.442 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.452 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.442 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -4.5 56.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 28.7 mttt -91.43 61.42 4.36 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.099 -1.001 . . . . 0.0 109.456 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 28.67 42.17 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 123.469 0.708 . . . . 0.0 112.867 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 63.34 -130.24 40.86 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.632 -0.922 . . . . 0.0 109.487 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.86 35.68 1.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.602 -0.686 . . . . 0.0 109.449 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' ILE . . . . . 0.442 ' C ' ' CG ' ' A' 1489 ' ' PHE . 13.1 mt 54.4 39.43 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 110.231 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1489 ' ' PHE . . . . . 0.442 ' CG ' ' C ' ' A' 1488 ' ' ILE . 1.7 p90 46.2 -176.06 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 121.83 0.824 . . . . 0.0 111.266 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.445 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp -113.55 141.93 46.56 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.437 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.445 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.437 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtmm -74.3 -42.75 58.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.99 29.65 0.14 Allowed 'General case' 0 N--CA 1.507 2.421 0 CA-C-O 121.212 0.53 . . . . 0.0 111.724 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.26 14.95 0.52 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.756 -0.59 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -62.27 -159.79 0.15 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.476 -1.014 . . . . 0.0 109.603 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.506 2.375 0 CA-C-O 121.406 0.622 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.82 34.23 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.344 0.592 . . . . 0.0 109.404 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 37.7 mm -124.1 29.8 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.376 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 3.2 p90 -179.82 -176.19 0.34 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.388 0.613 . . . . 0.0 109.851 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm -102.22 142.28 33.71 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' TYR . . . . . 0.483 ' CZ ' ' HE3' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -90.3 15.21 10.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.71 43.57 1.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.3 pp -177.12 35.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 0.0 109.562 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -111.47 -63.05 0.48 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.547 -0.972 . . . . 0.0 109.387 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 121.312 0.577 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -61.0 -166.11 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.661 -0.65 . . . . 0.0 109.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' 1489 ' ' PHE . 2.5 pt -84.2 78.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.489 -0.757 . . . . 0.0 109.666 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1489 ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' 1488 ' ' ILE . 7.7 p90 44.72 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 CA-C-O 122.149 0.976 . . . . 0.0 111.688 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CZ ' ' A' 1498 ' ' TYR . 61.2 mtp -73.1 -156.53 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' TYR . . . . . 0.457 ' CZ ' ' CE ' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1501 ' ' MET . . . . . 0.451 ' HE2' ' CE1' ' A' 1498 ' ' TYR . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -75.79 -18.94 59.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 9.1 pttt -89.76 62.42 5.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 109.915 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 1.6 pp -179.24 -35.89 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 115.42 89.9 1.63 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.939 . . . . 0.0 109.556 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1494 ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.462 ' CD1' ' CE ' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.462 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.56 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.504 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.46 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.982 0.896 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.422 ' CE2' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.478 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.478 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.574 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1494 ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.409 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.465 ' CE1' ' HE1' ' A' 1490 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1493 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1494 ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.649 ' CZ ' ' HE1' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.461 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.649 ' HE1' ' CZ ' ' A' 1497 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.493 0.663 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.457 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.457 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.497 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.434 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.52 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.52 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1497 ' ' TYR . . . . . 0.507 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.507 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1490 ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 61.2 mtp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1498 ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1501 ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' 1498 ' ' TYR . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.447 0.641 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.17 -168.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 25.0 mt -65.66 94.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.53 -0.731 . . . . 0.0 109.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -178.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.5 -0.75 . . . . 0.0 110.423 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm -70.94 -164.79 0.1 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.462 ' CD1' ' CE ' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.462 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm -90.4 -23.35 21.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1503 ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' 1504 ' ' LEU . 0.0 OUTLIER 62.61 80.71 0.22 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.412 -0.805 . . . . 0.0 109.348 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' 1504 ' ' LEU . 1.0 OUTLIER 28.69 42.15 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.8 0 C-N-CA 123.586 0.754 . . . . 0.0 112.763 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -73.75 -39.27 48.5 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.587 -0.949 . . . . 0.0 109.495 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.3 0.571 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' ASP . . . . . 0.431 ' HB3' ' CE2' ' A' 1489 ' ' PHE . 0.3 OUTLIER -93.61 -168.08 1.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 4.4 tt -93.82 47.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 109.704 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1489 ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' 1487 ' ' ASP . 14.8 p90 -177.86 173.44 1.56 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.675 -0.641 . . . . 0.0 109.643 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp -150.61 137.12 18.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.56 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.504 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -90.04 -28.74 18.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1503 ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' 1504 ' ' LEU . 3.5 mmmt 58.27 75.74 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.575 -0.703 . . . . 0.0 109.993 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' 1503 ' ' LYS . 0.5 OUTLIER 35.53 34.85 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.456 0.646 . . . . 0.0 112.11 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 61.67 78.13 0.17 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.507 -0.996 . . . . 0.0 109.496 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.341 0.591 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -83.93 -171.53 3.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' 1488 ' ' ILE . 5.6 tp -67.2 90.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.567 -0.708 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1489 ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' 1488 ' ' ILE . 0.3 OUTLIER -175.18 54.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.592 -0.692 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.46 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp -78.82 87.61 4.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.259 -0.9 . . . . 0.0 109.03 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.422 ' CE2' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.478 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.523 ' HA ' HD21 ' A' 1504 ' ' LEU . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -17.02 60.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -95.79 44.04 1.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 109.992 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' 1504 ' ' LEU . 3.1 pp -166.44 32.98 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.543 -0.723 . . . . 0.0 109.499 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -174.7 36.26 0.11 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.607 -0.937 . . . . 0.0 109.648 -179.848 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.752 0.787 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -118.67 32.72 5.98 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' 1488 ' ' ILE . 67.9 mt -121.11 30.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-O 121.621 0.724 . . . . 0.0 109.205 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 10.5 p90 174.66 -175.55 0.08 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.464 -0.773 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp -146.97 137.93 23.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.599 -0.688 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.574 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt -79.59 -3.03 45.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.04 37.19 1.33 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.127 -0.983 . . . . 0.0 109.584 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.69 -30.77 63.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.584 -0.697 . . . . 0.0 109.568 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 123.71 57.45 0.19 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.631 -0.923 . . . . 0.0 109.517 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.509 2.494 0 CA-C-O 121.368 0.604 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -120.02 35.39 4.87 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 11.5 mt 57.69 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.373 0.606 . . . . 0.0 110.115 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 9.1 p90 -57.46 -173.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.601 -0.687 . . . . 0.0 109.64 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm -120.92 129.59 53.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.635 -0.666 . . . . 0.0 109.359 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1494 ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.409 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.465 ' CE1' ' HE1' ' A' 1490 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm -85.98 -29.91 23.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1503 ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' 1504 ' ' LEU . 0.5 OUTLIER 61.12 34.76 18.9 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.515 -0.74 . . . . 0.0 109.679 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.432 ' CG ' ' O ' ' A' 1503 ' ' LYS . 0.4 OUTLIER 91.66 -35.75 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 123.795 0.838 . . . . 0.0 109.774 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 114.37 96.5 2.15 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.683 -0.893 . . . . 0.0 109.377 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.489 0.662 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1487 ' ' ASP . . . . . 0.55 ' O ' HG22 ' A' 1488 ' ' ILE . 23.5 m-20 61.62 37.11 16.35 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.789 -0.57 . . . . 0.0 109.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' 1487 ' ' ASP . 10.5 tt 44.45 32.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 111.352 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.46 125.83 20.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.584 -0.697 . . . . 0.0 109.784 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp -116.06 90.62 3.38 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1494 ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.649 ' CZ ' ' HE1' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.461 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.649 ' HE1' ' CZ ' ' A' 1497 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.89 59.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 37.7 mttt -95.73 38.47 1.16 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' 1504 ' ' LEU . 2.5 pp -173.44 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -146.99 89.36 0.15 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 109.497 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 121.323 0.582 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -163.66 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.569 -0.707 . . . . 0.0 109.111 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 8.8 tt -98.34 27.02 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 110.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 48.4 p90 179.92 139.14 0.12 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.761 -0.587 . . . . 0.0 109.788 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp -153.55 104.66 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.584 -0.698 . . . . 0.0 109.231 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.457 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.457 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -4.5 56.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1503 ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' 1504 ' ' LEU . 28.7 mttt -91.43 61.42 4.36 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.099 -1.001 . . . . 0.0 109.456 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' 1504 ' ' LEU . 1.0 OUTLIER 28.67 42.17 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 123.469 0.708 . . . . 0.0 112.867 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 63.34 -130.24 40.86 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.632 -0.922 . . . . 0.0 109.487 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.86 35.68 1.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.602 -0.686 . . . . 0.0 109.449 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.442 ' C ' ' CG ' ' A' 1489 ' ' PHE . 13.1 mt 54.4 39.43 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 110.231 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1489 ' ' PHE . . . . . 0.442 ' CG ' ' C ' ' A' 1488 ' ' ILE . 1.7 p90 46.2 -176.06 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 121.83 0.824 . . . . 0.0 111.266 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.497 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp -113.55 141.93 46.56 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.434 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.52 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.52 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1502 ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' 1504 ' ' LEU . 4.9 mtmm -74.3 -42.75 58.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.99 29.65 0.14 Allowed 'General case' 0 N--CA 1.507 2.421 0 CA-C-O 121.212 0.53 . . . . 0.0 111.724 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' 1504 ' ' LEU . 3.3 pp -153.26 14.95 0.52 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.756 -0.59 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -62.27 -159.79 0.15 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.476 -1.014 . . . . 0.0 109.603 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.506 2.375 0 CA-C-O 121.406 0.622 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.82 34.23 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.344 0.592 . . . . 0.0 109.404 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' 1488 ' ' ILE . 37.7 mm -124.1 29.8 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.376 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 3.2 p90 -179.82 -176.19 0.34 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.388 0.613 . . . . 0.0 109.851 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm -102.22 142.28 33.71 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1497 ' ' TYR . . . . . 0.507 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.507 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -90.3 15.21 10.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.71 43.57 1.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' 1504 ' ' LEU . 2.3 pp -177.12 35.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -111.47 -63.05 0.48 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.547 -0.972 . . . . 0.0 109.387 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 121.312 0.577 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -61.0 -166.11 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.661 -0.65 . . . . 0.0 109.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' 1489 ' ' PHE . 2.5 pt -84.2 78.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.489 -0.757 . . . . 0.0 109.666 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1489 ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' 1488 ' ' ILE . 7.7 p90 44.72 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 CA-C-O 122.149 0.976 . . . . 0.0 111.688 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1490 ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 61.2 mtp -73.1 -156.53 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1501 ' ' MET . . . . . 0.565 ' HA ' HD21 ' A' 1504 ' ' LEU . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -75.79 -18.94 59.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 9.1 pttt -89.76 62.42 5.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 109.915 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' 1501 ' ' MET . 1.6 pp -179.24 -35.89 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 115.42 89.9 1.63 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.939 . . . . 0.0 109.556 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.462 ' CD1' ' CE ' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.462 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.56 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.504 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.46 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.982 0.896 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.422 ' CE2' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.478 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.478 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . 0.507 HG23 HE21 ' A' 1494 ' ' GLN . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . 0.507 HE21 HG23 ' A' 1491 ' ' THR . 19.0 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.574 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.409 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.465 ' CE1' ' HE1' ' A' 1490 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.649 ' CZ ' ' HE1' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.461 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.649 ' HE1' ' CZ ' ' A' 1497 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.493 0.663 . . . . 0.0 109.231 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.457 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.457 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.497 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.434 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.52 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.52 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtmm . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm . . . . . 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . 0.507 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.507 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1490 ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 61.2 mtp . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1498 ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1501 ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' 1498 ' ' TYR . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.447 0.641 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.17 -168.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 25.0 mt -65.66 94.82 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.53 -0.731 . . . . 0.0 109.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -178.79 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.5 -0.75 . . . . 0.0 110.423 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.457 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 23.2 mmm -70.94 -164.79 0.1 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 30.5 p -152.72 -167.46 2.75 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.82 -27.93 62.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.546 -0.721 . . . . 0.0 109.503 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -86.61 -51.33 6.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.454 -0.779 . . . . 0.0 109.966 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 2.3 mt-30 -57.45 -37.61 73.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.516 -0.74 . . . . 0.0 110.346 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -58.58 -62.71 1.66 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.489 -0.757 . . . . 0.0 110.141 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -2.47 29.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.427 -0.796 . . . . 0.0 110.608 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.402 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 54.7 t80 -90.21 -13.73 34.88 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.128 -0.983 . . . . 0.0 108.856 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.462 ' CD1' ' CE ' ' A' 1501 ' ' MET . 1.9 m-30 -64.39 -28.29 69.59 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.297 -0.877 . . . . 0.0 109.172 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 50.9 p30 -75.68 -20.57 58.33 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.435 -0.791 . . . . 0.0 110.36 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -86.52 -35.74 19.39 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 0.0 109.267 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.462 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 3.9 ptp -74.13 -33.29 63.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.646 -0.658 . . . . 0.0 109.277 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 6.4 mttm -90.4 -23.35 21.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.599 -0.688 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' 1504 ' ' LEU . 0.0 OUTLIER 62.61 80.71 0.22 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.412 -0.805 . . . . 0.0 109.348 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' 1504 ' ' LEU . 1.0 OUTLIER 28.69 42.15 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.8 0 C-N-CA 123.586 0.754 . . . . 0.0 112.763 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -73.75 -39.27 48.5 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.587 -0.949 . . . . 0.0 109.495 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.3 0.571 . . . . 0.0 109.538 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . 0.431 ' HB3' ' CE2' ' A' 1489 ' ' PHE . 0.3 OUTLIER -93.61 -168.08 1.83 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 4.4 tt -93.82 47.09 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.477 -0.764 . . . . 0.0 109.704 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' 1487 ' ' ASP . 14.8 p90 -177.86 173.44 1.56 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.675 -0.641 . . . . 0.0 109.643 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 81.3 mtp -150.61 137.12 18.81 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.1 p -80.98 -171.2 3.08 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.586 -0.696 . . . . 0.0 109.455 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -70.5 -32.3 69.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -79.11 -35.28 42.49 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.626 -0.671 . . . . 0.0 109.501 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.71 -45.26 90.79 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.553 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 53.0 mttt -66.92 -49.36 65.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.546 -0.721 . . . . 0.0 109.6 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.0 mttm -71.65 -8.06 51.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.5 -0.75 . . . . 0.0 110.428 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.7 OUTLIER -89.56 -32.33 17.19 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.404 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.56 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.3 m-85 -60.36 -24.77 65.34 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.836 -0.54 . . . . 0.0 110.339 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 24.9 p30 -81.16 -23.67 38.09 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.317 -0.865 . . . . 0.0 110.301 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -87.49 -28.17 22.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.504 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 2.4 ptp -77.71 -33.74 52.96 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.374 -0.829 . . . . 0.0 109.141 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -90.04 -28.74 18.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.635 -0.666 . . . . 0.0 109.253 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . 0.725 ' O ' HD12 ' A' 1504 ' ' LEU . 3.5 mmmt 58.27 75.74 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.575 -0.703 . . . . 0.0 109.993 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' 1503 ' ' LYS . 0.5 OUTLIER 35.53 34.85 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.456 0.646 . . . . 0.0 112.11 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 61.67 78.13 0.17 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.507 -0.996 . . . . 0.0 109.496 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.341 0.591 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -83.93 -171.53 3.65 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' 1488 ' ' ILE . 5.6 tp -67.2 90.94 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.567 -0.708 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' 1488 ' ' ILE . 0.3 OUTLIER -175.18 54.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.592 -0.692 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.46 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 33.2 mtp -78.82 87.61 4.68 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.259 -0.9 . . . . 0.0 109.03 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.7 p -63.32 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -71.9 -29.03 63.91 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.651 -0.656 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.25 -30.4 25.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.499 -0.751 . . . . 0.0 109.786 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -63.17 -36.44 83.64 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.6 -0.687 . . . . 0.0 109.658 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -63.93 -47.23 81.33 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.472 -0.768 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 19.4 mttm -80.13 0.51 31.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.501 -0.75 . . . . 0.0 110.413 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.422 ' CE2' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -90.57 -33.35 15.92 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.478 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -55.21 -26.26 38.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.774 -0.579 . . . . 0.0 111.06 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -31.63 32.83 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.313 -0.867 . . . . 0.0 109.75 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -75.96 -28.05 57.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.516 -0.74 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.523 ' HA ' HD21 ' A' 1504 ' ' LEU . 3.7 ptp -81.77 -30.91 32.15 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.539 -0.726 . . . . 0.0 109.14 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -17.02 60.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.581 -0.699 . . . . 0.0 110.127 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -95.79 44.04 1.08 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 109.992 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' 1504 ' ' LEU . 3.1 pp -166.44 32.98 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.543 -0.723 . . . . 0.0 109.499 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -174.7 36.26 0.11 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 47.3 p . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.607 -0.937 . . . . 0.0 109.648 -179.848 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.752 0.787 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 7.5 t70 -118.67 32.72 5.98 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' 1488 ' ' ILE . 67.9 mt -121.11 30.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-O 121.621 0.724 . . . . 0.0 109.205 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 10.5 p90 174.66 -175.55 0.08 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.464 -0.773 . . . . 0.0 109.212 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 83.6 mtp -146.97 137.93 23.89 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.599 -0.688 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . 0.507 HG23 HE21 ' A' 1494 ' ' GLN . 18.9 p -83.62 -178.75 7.13 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -62.76 -33.89 76.09 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.539 -0.725 . . . . 0.0 109.649 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.69 -31.07 36.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.547 -0.72 . . . . 0.0 109.74 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . 0.507 HE21 HG23 ' A' 1491 ' ' THR . 19.0 mt-30 -61.63 -30.7 70.87 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.584 -0.697 . . . . 0.0 109.613 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.98 -46.92 66.86 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.57 -0.706 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -79.25 0.27 29.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.589 -0.695 . . . . 0.0 110.505 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.5 OUTLIER -90.26 -31.7 16.87 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.51 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.574 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.1 m-85 -56.36 -25.05 48.02 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.663 -0.648 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 17.1 p30 -81.74 -30.32 32.51 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.243 -0.91 . . . . 0.0 109.976 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -77.79 -28.59 50.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.524 -0.735 . . . . 0.0 109.816 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 3.1 ptp -80.58 -31.56 36.77 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 109.097 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 21.4 tttt -79.59 -3.03 45.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.557 -0.714 . . . . 0.0 110.355 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.04 37.19 1.33 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.127 -0.983 . . . . 0.0 109.584 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.69 -30.77 63.07 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.584 -0.697 . . . . 0.0 109.568 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 123.71 57.45 0.19 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.631 -0.923 . . . . 0.0 109.517 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 N--CA 1.509 2.494 0 CA-C-O 121.368 0.604 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -120.02 35.39 4.87 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 11.5 mt 57.69 103.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 121.373 0.606 . . . . 0.0 110.115 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 9.1 p90 -57.46 -173.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.601 -0.687 . . . . 0.0 109.64 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.465 ' HE1' ' CE1' ' A' 1498 ' ' TYR . 92.0 mmm -120.92 129.59 53.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.635 -0.666 . . . . 0.0 109.359 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 16.2 p -90.69 -165.93 1.47 Allowed 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.08 -28.65 57.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.5 -0.75 . . . . 0.0 109.373 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -84.4 -34.43 23.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.518 -0.739 . . . . 0.0 109.935 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' 1497 ' ' TYR . 44.3 mm-40 -60.46 -33.94 73.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.597 -0.689 . . . . 0.0 109.873 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -61.49 -62.47 1.8 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.419 -0.801 . . . . 0.0 109.836 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -74.52 -3.64 32.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.42 -0.8 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.409 ' HB3' ' HA ' ' A' 1494 ' ' GLN . 46.1 t80 -87.16 -10.47 52.62 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.149 -0.97 . . . . 0.0 109.001 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.465 ' CE1' ' HE1' ' A' 1490 ' ' MET . 1.4 m-30 -64.56 -27.04 68.68 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.353 -0.842 . . . . 0.0 109.067 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -75.42 -21.89 57.84 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.526 -0.734 . . . . 0.0 110.368 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -85.51 -35.75 20.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.382 -0.823 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' 1498 ' ' TYR . 4.1 ptp -74.47 -29.94 61.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.647 -0.658 . . . . 0.0 109.296 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 12.5 tptm -85.98 -29.91 23.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.469 -0.77 . . . . 0.0 109.303 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' 1504 ' ' LEU . 0.5 OUTLIER 61.12 34.76 18.9 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.515 -0.74 . . . . 0.0 109.679 179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.432 ' CG ' ' O ' ' A' 1503 ' ' LYS . 0.4 OUTLIER 91.66 -35.75 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 C-N-CA 123.795 0.838 . . . . 0.0 109.774 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 114.37 96.5 2.15 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.683 -0.893 . . . . 0.0 109.377 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.489 0.662 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . 0.55 ' O ' HG22 ' A' 1488 ' ' ILE . 23.5 m-20 61.62 37.11 16.35 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.789 -0.57 . . . . 0.0 109.479 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' 1487 ' ' ASP . 10.5 tt 44.45 32.53 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 111.352 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.46 125.83 20.26 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.584 -0.697 . . . . 0.0 109.784 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.461 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 44.7 mtp -116.06 90.62 3.38 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 17.5 p -59.37 -165.92 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.133 0.492 . . . . 0.0 109.963 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -68.76 -29.47 67.86 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.508 -0.745 . . . . 0.0 110.349 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1494 ' ' GLN . 11.6 pt-20 -87.44 -36.75 17.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.379 -0.826 . . . . 0.0 109.778 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' 1493 ' ' GLU . 59.9 mm-40 -54.27 -43.69 71.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.75 -0.594 . . . . 0.0 110.063 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -65.55 -45.61 82.7 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.551 -0.718 . . . . 0.0 109.615 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -81.59 2.58 28.66 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.529 -0.732 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.649 ' CZ ' ' HE1' ' A' 1501 ' ' MET . 0.3 OUTLIER -90.33 -35.07 15.45 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 179.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.461 ' CE1' ' CE ' ' A' 1490 ' ' MET . 3.5 m-85 -54.61 -31.34 56.93 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.878 -0.514 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 23.1 p30 -81.56 -29.7 33.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.338 -0.851 . . . . 0.0 109.86 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -74.78 -26.26 59.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.518 -0.739 . . . . 0.0 109.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.649 ' HE1' ' CZ ' ' A' 1497 ' ' TYR . 4.4 ptp -85.73 -32.49 21.86 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.09 -10.89 59.68 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.681 -0.637 . . . . 0.0 110.108 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 37.7 mttt -95.73 38.47 1.16 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.138 -0.976 . . . . 0.0 109.884 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.711 HD12 ' O ' ' A' 1504 ' ' LEU . 2.5 pp -173.44 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.507 -0.745 . . . . 0.0 109.701 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -146.99 89.36 0.15 Allowed Glycine 0 N--CA 1.494 2.5 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 109.497 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.509 2.511 0 CA-C-O 121.323 0.582 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -163.66 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.569 -0.707 . . . . 0.0 109.111 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . . . . . . . . . 8.8 tt -98.34 27.02 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 110.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 48.4 p90 179.92 139.14 0.12 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.761 -0.587 . . . . 0.0 109.788 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.621 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 8.7 mtp -153.55 104.66 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.584 -0.698 . . . . 0.0 109.231 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 12.4 p -64.28 174.27 1.69 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -62.48 -29.32 70.45 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 109.268 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -83.99 -24.18 30.69 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.584 -0.697 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -62.46 -44.35 96.6 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -61.53 -53.4 56.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.558 -0.714 . . . . 0.0 109.582 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -73.73 -5.4 40.44 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.548 -0.72 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.457 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.6 OUTLIER -87.18 -32.72 19.68 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.295 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.621 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.4 m-30 -56.81 -26.93 59.11 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.788 -0.57 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.36 -28.37 34.48 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.291 -0.881 . . . . 0.0 109.949 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.95 -26.32 40.08 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.453 -0.779 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.457 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -81.91 -33.49 30.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.332 -0.855 . . . . 0.0 109.274 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 -4.5 56.57 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.562 -0.711 . . . . 0.0 110.339 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' 1504 ' ' LEU . 28.7 mttt -91.43 61.42 4.36 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.099 -1.001 . . . . 0.0 109.456 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' 1504 ' ' LEU . 1.0 OUTLIER 28.67 42.17 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 123.469 0.708 . . . . 0.0 112.867 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 63.34 -130.24 40.86 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.632 -0.922 . . . . 0.0 109.487 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.494 1.743 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.86 35.68 1.82 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.602 -0.686 . . . . 0.0 109.449 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.442 ' C ' ' CG ' ' A' 1489 ' ' PHE . 13.1 mt 54.4 39.43 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.441 -0.787 . . . . 0.0 110.231 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . 0.442 ' CG ' ' C ' ' A' 1488 ' ' ILE . 1.7 p90 46.2 -176.06 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 CA-C-O 121.83 0.824 . . . . 0.0 111.266 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.497 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 59.5 mtp -113.55 141.93 46.56 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.3 p -99.97 -166.24 1.31 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.01 -29.96 61.0 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.5 -0.75 . . . . 0.0 109.277 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -81.64 -33.3 31.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.63 -0.669 . . . . 0.0 109.539 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -69.16 -42.51 75.82 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.577 -0.702 . . . . 0.0 109.2 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 10.5 mtmm -65.19 -48.19 74.27 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.659 -0.651 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 8.1 mptt -75.87 -3.46 35.42 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 110.591 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.434 ' O ' ' CD1' ' A' 1497 ' ' TYR . 0.6 OUTLIER -89.75 -31.7 17.31 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.52 ' CD1' ' HE1' ' A' 1501 ' ' MET . 3.4 m-30 -58.16 -26.8 63.17 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.39 -28.01 46.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.193 -0.942 . . . . 0.0 109.947 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.41 -36.66 38.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.439 -0.788 . . . . 0.0 109.681 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.52 ' HE1' ' CD1' ' A' 1498 ' ' TYR . 2.9 ptp -71.62 -27.3 63.01 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' 1504 ' ' LEU . 4.9 mtmm -74.3 -42.75 58.99 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.99 29.65 0.14 Allowed 'General case' 0 N--CA 1.507 2.421 0 CA-C-O 121.212 0.53 . . . . 0.0 111.724 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' 1504 ' ' LEU . 3.3 pp -153.26 14.95 0.52 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.756 -0.59 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -62.27 -159.79 0.15 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.399 -1.481 . . . . 0.0 109.399 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.476 -1.014 . . . . 0.0 109.603 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.506 2.375 0 CA-C-O 121.406 0.622 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.82 34.23 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.344 0.592 . . . . 0.0 109.404 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' 1488 ' ' ILE . 37.7 mm -124.1 29.8 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.376 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . . . . . . . . . 3.2 p90 -179.82 -176.19 0.34 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.388 0.613 . . . . 0.0 109.851 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.448 ' CE ' ' CE1' ' A' 1498 ' ' TYR . 87.2 mmm -102.22 142.28 33.71 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 11.8 p -105.42 -167.83 1.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.0 -28.12 60.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.531 -0.731 . . . . 0.0 109.739 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.43 -26.37 26.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.47 -0.769 . . . . 0.0 109.986 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -74.36 -34.61 63.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.38 -0.825 . . . . 0.0 109.46 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -68.62 -50.8 48.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.535 -0.728 . . . . 0.0 109.528 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -63.84 -15.83 59.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.517 -0.739 . . . . 0.0 110.09 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . 0.507 ' CZ ' ' HE2' ' A' 1501 ' ' MET . 0.5 OUTLIER -86.43 -31.19 21.55 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.455 ' CD1' ' CE ' ' A' 1501 ' ' MET . 2.2 m-85 -58.89 -28.7 66.41 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.824 -0.548 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.23 -26.82 53.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.116 -0.99 . . . . 0.0 109.957 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -79.55 -36.11 38.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.399 -0.813 . . . . 0.0 109.782 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.507 ' HE2' ' CZ ' ' A' 1497 ' ' TYR . 3.2 ptp -74.74 -29.4 61.15 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -90.3 15.21 10.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.598 -0.689 . . . . 0.0 110.084 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.71 43.57 1.13 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.727 HD12 ' O ' ' A' 1504 ' ' LEU . 2.3 pp -177.12 35.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.325 -0.86 . . . . 0.0 109.562 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . -111.47 -63.05 0.48 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.547 -0.972 . . . . 0.0 109.387 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.513 2.715 0 CA-C-O 121.312 0.577 . . . . 0.0 112.406 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -61.0 -166.11 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.661 -0.65 . . . . 0.0 109.547 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' ILE . . . . . 0.446 ' O ' ' CG ' ' A' 1489 ' ' PHE . 2.5 pt -84.2 78.06 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.489 -0.757 . . . . 0.0 109.666 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' 1488 ' ' ILE . 7.7 p90 44.72 -176.0 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.285 0 CA-C-O 122.149 0.976 . . . . 0.0 111.688 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' MET . . . . . 0.489 ' HE3' ' CE1' ' A' 1498 ' ' TYR . 61.2 mtp -73.1 -156.53 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' THR . . . . . . . . . . . . . 28.8 p -150.37 -171.74 3.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.296 -0.877 . . . . 0.0 109.312 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -66.53 -28.0 68.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.594 -0.691 . . . . 0.0 109.666 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.68 -58.24 2.65 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.587 -0.696 . . . . 0.0 109.966 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' 1498 ' ' TYR . 10.8 mt-30 -54.65 -25.63 28.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.467 -0.771 . . . . 0.0 110.676 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -66.23 0.58 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.355 -0.841 . . . . 0.0 110.012 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -80.66 4.02 20.11 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.526 -0.734 . . . . 0.0 110.59 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -90.71 -18.07 25.66 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.136 -0.977 . . . . 0.0 108.916 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' 1490 ' ' MET . 3.7 m-30 -63.37 -29.48 70.78 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.506 -0.746 . . . . 0.0 109.753 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' ASN . . . . . . . . . . . . . 28.1 p30 -75.78 -21.03 57.79 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.582 -0.699 . . . . 0.0 110.428 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' ALA . . . . . . . . . . . . . . . -88.36 -32.75 18.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.683 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' MET . . . . . 0.565 ' HA ' HD21 ' A' 1504 ' ' LEU . 3.6 ptp -76.3 -27.79 56.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.679 . . . . 0.0 109.594 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -75.79 -18.94 59.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.579 -0.701 . . . . 0.0 110.535 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' LYS . . . . . . . . . . . . . 9.1 pttt -89.76 62.42 5.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.246 -0.909 . . . . 0.0 109.915 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.565 HD21 ' HA ' ' A' 1501 ' ' MET . 1.6 pp -179.24 -35.89 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.334 -0.854 . . . . 0.0 109.801 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' GLY . . . . . . . . . . . . . . . 115.42 89.9 1.63 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.603 -0.939 . . . . 0.0 109.556 -179.922 . . . . . . . . 0 0 . 1 stop_ save_