data_1ni8_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 1ni8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.47 0.652 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 -26.94 24.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.248 -0.907 . . . . 0.0 110.666 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.7 -28.34 26.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.193 -0.942 . . . . 0.0 109.935 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.0 -38.47 61.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.739 -0.601 . . . . 0.0 110.008 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -70.35 -29.53 66.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.234 -0.916 . . . . 0.0 110.421 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.08 -36.26 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.92 -23.72 61.63 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.66 -0.65 . . . . 0.0 110.615 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -70.04 -30.61 67.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.237 -0.915 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.31 93.51 6.92 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -36.5 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.534 -0.729 . . . . 0.0 111.677 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.02 -40.75 73.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.321 -0.862 . . . . 0.0 109.687 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -65.36 -50.14 66.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 109.456 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.09 -31.44 72.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 0.0 109.364 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -57.07 -46.39 82.52 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.61 80.38 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.475 -0.765 . . . . 0.0 110.091 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -71.0 -34.49 71.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.431 -0.793 . . . . 0.0 110.541 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.07 -30.07 69.18 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.33 -0.856 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.23 64.34 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.563 -0.711 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.25 13.7 34.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.828 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.59 159.62 39.0 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.964 -1.085 . . . . 0.0 110.859 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 p -83.12 164.64 20.12 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.559 -0.713 . . . . 0.0 110.971 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 tp -64.17 -37.2 86.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.501 -0.749 . . . . 0.0 110.905 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.9 -41.07 81.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.349 -0.844 . . . . 0.0 110.696 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -68.55 -33.59 74.35 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.516 -0.74 . . . . 0.0 109.055 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.53 -32.16 71.91 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.844 -0.535 . . . . 0.0 110.029 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -68.13 -43.53 78.14 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.666 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.13 -42.31 99.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.657 -0.652 . . . . 0.0 109.52 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.8 mtm -60.18 -40.15 88.97 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.162 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 tp -66.45 -36.1 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.714 . . . . 0.0 109.998 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -48.22 79.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.512 -0.742 . . . . 0.0 110.337 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -44.49 93.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.628 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.77 -39.84 95.24 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.164 -0.96 . . . . 0.0 110.024 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.91 99.46 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.78 . . . . 0.0 109.621 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.6 t -66.98 -37.42 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.639 -0.663 . . . . 0.0 109.81 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.18 -41.23 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.634 -0.666 . . . . 0.0 109.879 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -70.94 -37.98 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.37 -33.66 74.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.72 . . . . 0.0 110.086 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.28 -41.51 99.01 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -30.73 64.2 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.339 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -62.29 -38.32 88.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.6 -0.688 . . . . 0.0 109.464 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.09 -40.13 96.74 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.689 -0.632 . . . . 0.0 109.437 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.15 -37.97 81.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.428 -0.795 . . . . 0.0 109.845 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.2 -38.26 78.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.887 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.49 -31.85 65.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.706 -0.621 . . . . 0.0 110.177 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.24 69.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.515 -0.741 . . . . 0.0 110.202 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.438 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.522 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -27.01 24.84 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.828 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.53 -28.26 26.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -0.919 . . . . 0.0 109.965 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.39 -38.26 60.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.474 -0.767 . . . . 0.0 109.988 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -70.62 -29.26 65.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.345 -0.847 . . . . 0.0 110.298 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.01 -36.1 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.427 -0.796 . . . . 0.0 109.704 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.31 -23.81 62.76 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.597 -0.69 . . . . 0.0 110.608 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -69.78 -30.41 67.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 0.0 110.647 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.54 93.84 7.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -36.84 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.457 -0.777 . . . . 0.0 111.684 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.03 -40.15 73.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.17 -0.956 . . . . 0.0 109.978 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -65.99 -49.87 66.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.456 -0.778 . . . . 0.0 109.333 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 tp -63.02 -31.65 72.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.537 -0.727 . . . . 0.0 109.17 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -56.99 -46.48 82.21 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 122.066 -0.396 . . . . 0.0 110.054 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.92 81.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.682 -0.636 . . . . 0.0 110.06 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.604 -0.685 . . . . 0.0 110.39 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.49 68.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.439 -0.788 . . . . 0.0 110.947 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.88 64.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.655 -0.653 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.65 13.47 34.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.732 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -132.45 159.88 38.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.189 -0.945 . . . . 0.0 110.655 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 p -83.22 164.81 19.91 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.44 0.638 . . . . 0.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.5 -36.83 85.47 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.499 -0.751 . . . . 0.0 110.887 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.32 -40.61 82.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.433 -0.792 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -68.9 -33.24 73.43 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.74 -32.18 71.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.722 -0.612 . . . . 0.0 109.964 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -67.84 -43.84 78.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.333 -0.855 . . . . 0.0 109.603 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.29 -41.86 99.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.463 -0.773 . . . . 0.0 109.374 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 17.5 mtm -60.63 -40.05 90.51 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.845 -0.535 . . . . 0.0 109.938 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 tp -66.38 -36.37 82.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.637 -0.664 . . . . 0.0 109.82 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -48.1 79.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.458 -0.776 . . . . 0.0 110.108 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -59.61 -44.52 93.38 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.716 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.945 . . . . 0.0 109.993 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -41.74 99.47 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.583 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 37.3 t -66.93 -37.5 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.667 -0.646 . . . . 0.0 109.999 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.01 -41.44 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.244 -0.91 . . . . 0.0 109.818 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 62.3 t -71.15 -37.92 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.478 -0.764 . . . . 0.0 108.994 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.67 -33.45 74.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.686 . . . . 0.0 109.847 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.15 -41.91 99.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -30.8 64.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.377 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.31 -38.42 89.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.698 -0.626 . . . . 0.0 109.383 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.19 -40.18 96.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.653 -0.654 . . . . 0.0 109.407 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.26 -37.77 81.09 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.956 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -38.17 78.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.465 -0.772 . . . . 0.0 109.891 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.55 -31.61 65.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.553 -0.717 . . . . 0.0 110.078 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.39 69.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.187 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.411 179.796 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.47 0.652 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -86.37 -26.94 24.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.248 -0.907 . . . . 0.0 110.666 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.709 ' CB ' HG21 ' B' ' 6' ' ' ILE . . . -84.7 -28.34 26.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.193 -0.942 . . . . 0.0 109.935 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 16' ' ' GLN . 1.7 mp -75.0 -38.47 61.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.739 -0.601 . . . . 0.0 110.008 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 3.4 ptmm? -70.35 -29.53 66.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.234 -0.916 . . . . 0.0 110.421 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 ' CB ' ' B' ' 3' ' ' ALA . 2.2 mm -69.08 -36.26 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.542 HD21 HD11 ' B' ' 7' ' ' LEU . 33.8 mt -58.92 -23.72 61.63 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.66 -0.65 . . . . 0.0 110.615 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -70.04 -30.61 67.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.237 -0.915 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.31 93.51 6.92 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -36.5 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.534 -0.729 . . . . 0.0 111.677 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.02 -40.75 73.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.321 -0.862 . . . . 0.0 109.687 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 9.1 m -65.36 -50.14 66.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 109.456 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 HG21 ' B' ' 35' ' ' VAL . 2.0 tp -63.09 -31.44 72.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 0.0 109.364 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -57.07 -46.39 82.52 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.61 80.38 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.475 -0.765 . . . . 0.0 110.091 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' CB ' HD13 ' B' ' 4' ' ' LEU . 26.0 mm-40 -71.0 -34.49 71.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.431 -0.793 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.07 -30.07 69.18 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.33 -0.856 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.23 64.34 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.563 -0.711 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.25 13.7 34.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.828 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.59 159.62 39.0 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.964 -1.085 . . . . 0.0 110.859 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 p -83.12 164.64 20.12 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.559 -0.713 . . . . 0.0 110.971 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 11.5 tp -64.17 -37.2 86.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.501 -0.749 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.9 -41.07 81.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.349 -0.844 . . . . 0.0 110.696 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -68.55 -33.59 74.35 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.516 -0.74 . . . . 0.0 109.055 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 22' ' ' LEU . 58.2 mt -68.53 -32.16 71.91 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.844 -0.535 . . . . 0.0 110.029 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 49.2 mm-40 -68.13 -43.53 78.14 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.666 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.13 -42.31 99.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.657 -0.652 . . . . 0.0 109.52 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' HG ' ' B' ' 4' ' ' LEU . 17.8 mtm -60.18 -40.15 88.97 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.162 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.84 HD13 HG21 ' B' ' 36' ' ' VAL . 6.2 tp -66.45 -36.1 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.714 . . . . 0.0 109.998 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -48.22 79.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.512 -0.742 . . . . 0.0 110.337 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.774 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -59.72 -44.49 93.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.628 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.936 HD22 HD22 ' B' ' 32' ' ' LEU . 7.0 tp -63.77 -39.84 95.24 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.164 -0.96 . . . . 0.0 110.024 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.91 99.46 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.78 . . . . 0.0 109.621 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.6 t -66.98 -37.42 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.639 -0.663 . . . . 0.0 109.81 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.87 HG21 HD23 ' B' ' 13' ' ' LEU . 83.6 t -65.18 -41.23 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.634 -0.666 . . . . 0.0 109.879 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.815 HG21 HD13 ' B' ' 29' ' ' LEU . 66.2 t -70.94 -37.98 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 4.7 m-80 -68.37 -33.66 74.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.72 . . . . 0.0 110.086 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.28 -41.51 99.01 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -30.73 64.2 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.339 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' ASN . 60.0 mtt180 -62.29 -38.32 88.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.6 -0.688 . . . . 0.0 109.464 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.09 -40.13 96.74 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.689 -0.632 . . . . 0.0 109.437 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.15 -37.97 81.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.428 -0.795 . . . . 0.0 109.845 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.2 -38.26 78.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.887 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.49 -31.85 65.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.706 -0.621 . . . . 0.0 110.177 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.24 69.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.515 -0.741 . . . . 0.0 110.202 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.438 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.522 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -86.16 -27.01 24.84 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.828 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.711 ' CB ' HG21 ' A' ' 6' ' ' ILE . . . -84.53 -28.26 26.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -0.919 . . . . 0.0 109.965 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp -75.39 -38.26 60.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.474 -0.767 . . . . 0.0 109.988 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' B' ' 2' ' ' GLU . 3.3 ptmm? -70.62 -29.26 65.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.345 -0.847 . . . . 0.0 110.298 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.709 HG21 ' CB ' ' A' ' 3' ' ' ALA . 2.2 mm -69.01 -36.1 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.427 -0.796 . . . . 0.0 109.704 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 7' ' ' LEU . 33.9 mt -59.31 -23.81 62.76 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.597 -0.69 . . . . 0.0 110.608 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -69.78 -30.41 67.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 0.0 110.647 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.54 93.84 7.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -36.84 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.457 -0.777 . . . . 0.0 111.684 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.03 -40.15 73.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.17 -0.956 . . . . 0.0 109.978 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 8.4 m -65.99 -49.87 66.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.456 -0.778 . . . . 0.0 109.333 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.87 HD23 HG21 ' A' ' 35' ' ' VAL . 1.9 tp -63.02 -31.65 72.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.537 -0.727 . . . . 0.0 109.17 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -56.99 -46.48 82.21 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 122.066 -0.396 . . . . 0.0 110.054 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.92 81.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.682 -0.636 . . . . 0.0 110.06 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.555 ' CB ' HD13 ' A' ' 4' ' ' LEU . 26.7 mm-40 -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.604 -0.685 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.49 68.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.439 -0.788 . . . . 0.0 110.947 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.88 64.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.655 -0.653 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.65 13.47 34.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.732 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -132.45 159.88 38.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.189 -0.945 . . . . 0.0 110.655 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 p -83.22 164.81 19.91 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.44 0.638 . . . . 0.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' B' ' 25' ' ' LEU . 8.7 tp -64.5 -36.83 85.47 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.499 -0.751 . . . . 0.0 110.887 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.32 -40.61 82.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.433 -0.792 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -68.9 -33.24 73.43 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 22' ' ' LEU . 56.2 mt -68.74 -32.18 71.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.722 -0.612 . . . . 0.0 109.964 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 22' ' ' LEU . 57.9 mm-40 -67.84 -43.84 78.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.333 -0.855 . . . . 0.0 109.603 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.29 -41.86 99.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.463 -0.773 . . . . 0.0 109.374 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' MET . . . . . 0.437 ' SD ' ' HG ' ' A' ' 4' ' ' LEU . 17.5 mtm -60.63 -40.05 90.51 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.845 -0.535 . . . . 0.0 109.938 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.815 HD13 HG21 ' A' ' 36' ' ' VAL . 6.2 tp -66.38 -36.37 82.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.637 -0.664 . . . . 0.0 109.82 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -48.1 79.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.458 -0.776 . . . . 0.0 110.108 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.78 ' O ' HG23 ' B' ' 35' ' ' VAL . 4.6 mptt -59.61 -44.52 93.38 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.716 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.936 HD22 HD22 ' A' ' 32' ' ' LEU . 6.8 tp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.945 . . . . 0.0 109.993 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -41.74 99.47 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.583 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 37.3 t -66.93 -37.5 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.667 -0.646 . . . . 0.0 109.999 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.86 HG21 HD23 ' A' ' 13' ' ' LEU . 87.8 t -65.01 -41.44 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.244 -0.91 . . . . 0.0 109.818 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.84 HG21 HD13 ' A' ' 29' ' ' LEU . 62.3 t -71.15 -37.92 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.478 -0.764 . . . . 0.0 108.994 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' HD2' ' B' ' 40' ' ' ARG . 4.7 m-80 -68.67 -33.45 74.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.686 . . . . 0.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.15 -41.91 99.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -30.8 64.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.377 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' B' ' 37' ' ' ASN . 59.2 mtt180 -62.31 -38.42 89.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.698 -0.626 . . . . 0.0 109.383 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.19 -40.18 96.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.653 -0.654 . . . . 0.0 109.407 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.26 -37.77 81.09 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.956 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -38.17 78.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.465 -0.772 . . . . 0.0 109.891 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.55 -31.61 65.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.553 -0.717 . . . . 0.0 110.078 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.39 69.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.187 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.411 179.796 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 121.47 0.652 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -86.37 -26.94 24.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.248 -0.907 . . . . 0.0 110.666 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.709 ' CB ' HG21 ' B' ' 6' ' ' ILE . . . -84.7 -28.34 26.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.193 -0.942 . . . . 0.0 109.935 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.555 HD13 ' CB ' ' B' ' 16' ' ' GLN . 1.7 mp -75.0 -38.47 61.59 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.739 -0.601 . . . . 0.0 110.008 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 3.4 ptmm? -70.35 -29.53 66.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.234 -0.916 . . . . 0.0 110.421 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG21 ' CB ' ' B' ' 3' ' ' ALA . 2.2 mm -69.08 -36.26 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.284 -0.885 . . . . 0.0 109.656 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.542 HD21 HD11 ' B' ' 7' ' ' LEU . 33.8 mt -58.92 -23.72 61.63 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.66 -0.65 . . . . 0.0 110.615 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -70.04 -30.61 67.93 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.237 -0.915 . . . . 0.0 110.528 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.31 93.51 6.92 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -36.5 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.534 -0.729 . . . . 0.0 111.677 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.02 -40.75 73.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.321 -0.862 . . . . 0.0 109.687 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 9.1 m -65.36 -50.14 66.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 109.456 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD23 HG21 ' B' ' 35' ' ' VAL . 2.0 tp -63.09 -31.44 72.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.588 -0.695 . . . . 0.0 109.364 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -57.07 -46.39 82.52 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.153 0.501 . . . . 0.0 110.138 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.61 80.38 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.475 -0.765 . . . . 0.0 110.091 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.551 ' CB ' HD13 ' B' ' 4' ' ' LEU . 26.0 mm-40 -71.0 -34.49 71.43 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.431 -0.793 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.07 -30.07 69.18 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.33 -0.856 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -20.23 64.34 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.563 -0.711 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.25 13.7 34.27 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.828 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.59 159.62 39.0 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.964 -1.085 . . . . 0.0 110.859 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.2 p -83.12 164.64 20.12 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.559 -0.713 . . . . 0.0 110.971 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 11.5 tp -64.17 -37.2 86.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.501 -0.749 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.9 -41.07 81.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.349 -0.844 . . . . 0.0 110.696 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.5 m -68.55 -33.59 74.35 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.516 -0.74 . . . . 0.0 109.055 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 22' ' ' LEU . 58.2 mt -68.53 -32.16 71.91 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.844 -0.535 . . . . 0.0 110.029 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 22' ' ' LEU . 49.2 mm-40 -68.13 -43.53 78.14 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.666 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.13 -42.31 99.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.657 -0.652 . . . . 0.0 109.52 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.437 ' SD ' ' HG ' ' B' ' 4' ' ' LEU . 17.8 mtm -60.18 -40.15 88.97 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.162 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.84 HD13 HG21 ' B' ' 36' ' ' VAL . 6.2 tp -66.45 -36.1 81.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.557 -0.714 . . . . 0.0 109.998 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -48.22 79.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.512 -0.742 . . . . 0.0 110.337 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.774 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -59.72 -44.49 93.71 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.628 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.936 HD22 HD22 ' B' ' 32' ' ' LEU . 7.0 tp -63.77 -39.84 95.24 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.164 -0.96 . . . . 0.0 110.024 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -41.91 99.46 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.451 -0.78 . . . . 0.0 109.621 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 37.6 t -66.98 -37.42 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.639 -0.663 . . . . 0.0 109.81 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.87 HG21 HD23 ' B' ' 13' ' ' LEU . 83.6 t -65.18 -41.23 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.634 -0.666 . . . . 0.0 109.879 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.815 HG21 HD13 ' B' ' 29' ' ' LEU . 66.2 t -70.94 -37.98 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 4.7 m-80 -68.37 -33.66 74.67 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.549 -0.72 . . . . 0.0 110.086 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.28 -41.51 99.01 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.87 -30.73 64.2 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.339 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 37' ' ' ASN . 60.0 mtt180 -62.29 -38.32 88.92 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.6 -0.688 . . . . 0.0 109.464 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.09 -40.13 96.74 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.689 -0.632 . . . . 0.0 109.437 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.15 -37.97 81.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.428 -0.795 . . . . 0.0 109.845 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.2 -38.26 78.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.438 -0.789 . . . . 0.0 109.887 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.49 -31.85 65.71 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.706 -0.621 . . . . 0.0 110.177 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.24 69.95 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.515 -0.741 . . . . 0.0 110.202 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.438 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.195 0.522 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -86.16 -27.01 24.84 Favored 'General case' 0 N--CA 1.498 1.946 0 C-N-CA 120.035 -0.666 . . . . 0.0 110.828 179.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.711 ' CB ' HG21 ' A' ' 6' ' ' ILE . . . -84.53 -28.26 26.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.229 -0.919 . . . . 0.0 109.965 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp -75.39 -38.26 60.04 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.474 -0.767 . . . . 0.0 109.988 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' B' ' 2' ' ' GLU . 3.3 ptmm? -70.62 -29.26 65.59 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.345 -0.847 . . . . 0.0 110.298 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.709 HG21 ' CB ' ' A' ' 3' ' ' ALA . 2.2 mm -69.01 -36.1 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.427 -0.796 . . . . 0.0 109.704 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 7' ' ' LEU . 33.9 mt -59.31 -23.81 62.76 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.597 -0.69 . . . . 0.0 110.608 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -69.78 -30.41 67.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.358 -0.839 . . . . 0.0 110.647 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -96.54 93.84 7.02 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -36.84 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.457 -0.777 . . . . 0.0 111.684 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -56.03 -40.15 73.01 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.17 -0.956 . . . . 0.0 109.978 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 8.4 m -65.99 -49.87 66.3 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.456 -0.778 . . . . 0.0 109.333 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.87 HD23 HG21 ' A' ' 35' ' ' VAL . 1.9 tp -63.02 -31.65 72.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.537 -0.727 . . . . 0.0 109.17 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -56.99 -46.48 82.21 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 122.066 -0.396 . . . . 0.0 110.054 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.92 81.35 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.682 -0.636 . . . . 0.0 110.06 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.555 ' CB ' HD13 ' A' ' 4' ' ' LEU . 26.7 mm-40 -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.604 -0.685 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.49 68.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.439 -0.788 . . . . 0.0 110.947 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -19.88 64.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.655 -0.653 . . . . 0.0 110.945 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.65 13.47 34.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.732 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 m -132.45 159.88 38.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.189 -0.945 . . . . 0.0 110.655 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 13.5 p -83.22 164.81 19.91 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.44 0.638 . . . . 0.0 110.777 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' B' ' 25' ' ' LEU . 8.7 tp -64.5 -36.83 85.47 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.499 -0.751 . . . . 0.0 110.887 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.32 -40.61 82.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.433 -0.792 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 39.3 m -68.9 -33.24 73.43 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' B' ' 22' ' ' LEU . 56.2 mt -68.74 -32.18 71.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.722 -0.612 . . . . 0.0 109.964 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 22' ' ' LEU . 57.9 mm-40 -67.84 -43.84 78.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.333 -0.855 . . . . 0.0 109.603 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.29 -41.86 99.02 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.463 -0.773 . . . . 0.0 109.374 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . 0.437 ' SD ' ' HG ' ' A' ' 4' ' ' LEU . 17.5 mtm -60.63 -40.05 90.51 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.845 -0.535 . . . . 0.0 109.938 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.815 HD13 HG21 ' A' ' 36' ' ' VAL . 6.2 tp -66.38 -36.37 82.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.637 -0.664 . . . . 0.0 109.82 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -48.1 79.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.458 -0.776 . . . . 0.0 110.108 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.78 ' O ' HG23 ' B' ' 35' ' ' VAL . 4.6 mptt -59.61 -44.52 93.38 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.716 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.936 HD22 HD22 ' A' ' 32' ' ' LEU . 6.8 tp -63.89 -39.86 95.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.187 -0.945 . . . . 0.0 109.993 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -41.74 99.47 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.002 -0.679 . . . . 0.0 109.583 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 37.3 t -66.93 -37.5 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.667 -0.646 . . . . 0.0 109.999 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.86 HG21 HD23 ' A' ' 13' ' ' LEU . 87.8 t -65.01 -41.44 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.244 -0.91 . . . . 0.0 109.818 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.84 HG21 HD13 ' A' ' 29' ' ' LEU . 62.3 t -71.15 -37.92 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.478 -0.764 . . . . 0.0 108.994 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' HD2' ' B' ' 40' ' ' ARG . 4.7 m-80 -68.67 -33.45 74.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.686 . . . . 0.0 109.847 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.15 -41.91 99.35 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -30.8 64.74 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.377 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' B' ' 37' ' ' ASN . 59.2 mtt180 -62.31 -38.42 89.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.698 -0.626 . . . . 0.0 109.383 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -63.19 -40.18 96.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.653 -0.654 . . . . 0.0 109.407 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.26 -37.77 81.09 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.956 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -38.17 78.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.465 -0.772 . . . . 0.0 109.891 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -72.55 -31.61 65.42 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.553 -0.717 . . . . 0.0 110.078 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.39 69.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.337 -0.852 . . . . 0.0 110.187 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.411 179.796 . . . . . . . . 0 0 . 1 stop_ save_