data_1cb3_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 1cb3 _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 full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.672 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -46.5 -80.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.181 -0.95 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.616 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 5.7 t0 61.05 -70.1 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.837 -0.54 . . . . 0.0 110.095 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.711 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.5 p90 -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.375 -0.828 . . . . 0.0 111.895 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.711 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.9 m95 -16.87 -54.61 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.372 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -36.59 -53.73 0.88 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.946 -0.471 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 6.77 41.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.128 -0.982 . . . . 0.0 111.105 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.91 -64.47 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 110.311 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 7' ' ' HIS . 1.4 mmmm 58.98 148.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.27 -0.894 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.98 -26.69 67.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.152 -0.968 . . . . 0.0 110.128 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER 34.48 -156.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.241 0.543 . . . . 0.0 111.17 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 170.05 42.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.771 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.667 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.5 mt -47.35 -82.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.154 -0.966 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 24.5 t0 62.2 -69.12 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.344 0.592 . . . . 0.0 110.131 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 42.3 p90 -75.85 -53.57 8.24 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 111.992 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.724 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.9 m95 -16.69 -55.11 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.713 0 CA-C-O 121.709 0.766 . . . . 0.0 111.455 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.9 tp -36.79 -52.34 0.91 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.903 -0.498 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.31 7.3 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.11 -0.994 . . . . 0.0 111.085 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.65 26.99 8.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.073 -1.017 . . . . 0.0 110.203 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -111.57 -148.07 0.43 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 110.168 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -44.38 -25.88 0.29 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -29.95 62.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.224 -0.923 . . . . 0.0 110.191 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.92 56.49 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.714 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.678 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -52.07 -81.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.628 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.1 OUTLIER 59.72 -68.46 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.195 0.522 . . . . 0.0 110.327 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 37.6 p90 -75.17 -52.2 11.54 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.161 -0.962 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.0 m95 -22.29 -50.38 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 122.018 0.914 . . . . 0.0 110.152 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -38.0 -52.22 1.38 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.683 179.21 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' HB1' ' CD2' ' A' ' 7' ' ' HIS . . . -90.45 1.9 56.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 111.251 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.9 m170 -117.9 -49.46 2.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 110.538 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 6.4 mmpt? 43.03 -141.89 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.093 -1.004 . . . . 0.0 110.046 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -47.88 -31.78 5.48 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 3.6 tt 56.25 112.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.353 -0.842 . . . . 0.0 110.226 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.71 -165.55 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.653 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mt -45.08 -81.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER 62.32 -69.52 0.06 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.713 -0.617 . . . . 0.0 110.247 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.9 p90 -75.82 -55.72 5.37 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.234 -0.916 . . . . 0.0 111.824 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 39.9 m95 -14.34 -56.52 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.599 0 CA-C-O 121.568 0.699 . . . . 0.0 111.734 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.7 tp -33.74 -50.37 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.552 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.51 22.85 3.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 111.84 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.4 m-70 -129.04 -137.94 0.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.652 -1.28 . . . . 0.0 110.199 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 6.8 mttt 67.37 -143.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -0.949 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . . . -55.33 -164.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 110.207 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER 54.95 102.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.22 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.8 61.31 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.169 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.1 mt -44.67 -80.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.618 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 7.6 t0 61.91 -69.57 0.05 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.709 -0.62 . . . . 0.0 110.114 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 52.8 p90 -75.73 -56.12 4.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 111.668 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 42.8 m95 -15.41 -55.35 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.714 0.769 . . . . 0.0 111.754 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.0 tp -36.57 -44.19 0.44 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.94 -0.475 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.5 21.81 3.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.918 -1.114 . . . . 0.0 111.615 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.9 OUTLIER -133.39 -68.84 0.56 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.694 -1.254 . . . . 0.0 109.907 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' HIS . 14.9 mmtp 50.85 175.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.89 17.19 3.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.416 -0.803 . . . . 0.0 110.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -58.61 125.55 23.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.264 -0.897 . . . . 0.0 110.203 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.2 155.68 1.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.665 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.6 mt -47.02 -82.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.176 -0.952 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.617 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 33.2 t0 62.07 -68.85 0.06 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.704 -0.623 . . . . 0.0 110.117 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 41.9 p90 -75.93 -53.91 7.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.319 -0.863 . . . . 0.0 111.954 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.2 m95 -16.49 -55.67 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.664 0 CA-C-O 121.655 0.741 . . . . 0.0 111.402 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -37.14 -51.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.843 -0.536 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.488 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.24 7.15 39.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.947 -1.096 . . . . 0.0 111.04 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -122.25 5.59 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.035 -1.04 . . . . 0.0 110.2 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' LEU . 1.1 mmmp? -104.45 -155.19 0.53 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.51 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -167.79 108.7 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 110.241 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.33 19.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.43 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 8.6 mm -42.91 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.576 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 4.2 m-20 64.01 -70.38 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.719 -0.613 . . . . 0.0 110.197 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.692 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 50.9 p90 -76.04 -54.64 6.54 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 112.002 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.692 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 42.0 m95 -15.15 -54.46 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.69 0 CA-C-O 121.567 0.698 . . . . 0.0 111.844 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.4 tp -34.38 -51.58 0.46 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.98 -0.45 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.548 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.57 20.08 4.87 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.901 -1.124 . . . . 0.0 111.523 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.1 m-70 -128.56 -137.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.821 -1.174 . . . . 0.0 110.112 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 25.7 mtpt 64.77 173.36 0.2 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 110.16 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -40.52 -27.78 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.468 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.07 52.93 1.88 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.165 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.62 115.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.673 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -44.98 -81.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.169 -0.957 . . . . 0.0 109.673 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.6 OUTLIER 61.42 -70.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.705 -0.622 . . . . 0.0 110.015 -179.294 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.3 p90 -75.7 -54.45 6.94 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.308 -0.87 . . . . 0.0 111.861 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.5 m95 -15.65 -54.64 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 CA-C-O 121.692 0.758 . . . . 0.0 111.717 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.0 tp -35.62 -51.78 0.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.898 -0.501 . . . . 0.0 111.2 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.536 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.53 15.29 11.1 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.914 -1.116 . . . . 0.0 111.328 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -126.22 17.9 7.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.924 -1.11 . . . . 0.0 110.341 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 45.4 mtpt -87.91 18.49 4.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.145 -0.972 . . . . 0.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.42 -59.7 2.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -48.43 -63.44 1.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.388 -0.82 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.12 82.35 0.33 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.688 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -48.21 -81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.602 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 15.5 t0 60.99 -69.66 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.762 -0.586 . . . . 0.0 110.148 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.719 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 38.9 p90 -75.84 -53.4 8.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.343 -0.848 . . . . 0.0 111.943 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.2 m95 -16.69 -57.86 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 CA-C-O 121.851 0.834 . . . . 0.0 111.265 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' TYR . 14.0 tp -41.02 -49.87 3.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.899 -0.501 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.25 0.41 57.23 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.056 -1.027 . . . . 0.0 111.452 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 3.6 m-70 -119.24 -70.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.078 . . . . 0.0 110.623 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 7.1 mttm 43.59 -142.71 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.167 -0.958 . . . . 0.0 109.981 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.41 -51.47 10.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 0.0 110.129 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -48.54 133.36 16.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.0 110.162 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 173.59 93.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 110.184 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.1 mt -44.95 -80.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.173 -0.954 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 20.9 m-20 61.86 -69.96 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.742 -0.599 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.8 p90 -75.74 -55.36 5.72 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.224 -0.922 . . . . 0.0 111.831 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.693 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.7 m95 -15.18 -55.55 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.528 0.68 . . . . 0.0 111.678 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -35.37 -48.55 0.48 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.963 -0.46 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.548 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.38 19.81 4.93 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.969 -1.082 . . . . 0.0 111.662 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.67 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.5 m-70 -130.47 -142.79 0.24 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 3.1 mtmt 62.59 172.72 0.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' LEU . . . -42.09 144.31 0.48 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.425 -0.797 . . . . 0.0 110.149 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 1.4 tm? -177.63 115.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.858 . . . . 0.0 110.178 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.17 179.21 9.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.232 -0.918 . . . . 0.0 110.182 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.775 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.5 mt -46.44 -82.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.136 -0.978 . . . . 0.0 109.76 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.609 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 25.6 t0 62.07 -69.23 0.06 Allowed 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.355 0.597 . . . . 0.0 110.05 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 40.4 p90 -75.82 -53.1 9.0 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 111.957 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.724 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.7 m95 -17.38 -55.22 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 121.76 0.79 . . . . 0.0 111.223 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -39.44 -52.62 2.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.841 -0.537 . . . . 0.0 110.738 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.448 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.24 1.25 56.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.063 -1.023 . . . . 0.0 111.113 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.2 m-70 -120.89 -1.14 9.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.007 -1.058 . . . . 0.0 110.128 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -63.9 -163.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.205 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 105.33 4.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 0.0 110.18 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.75 -177.48 5.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.38 45.27 27.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 110.202 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.692 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 2.3 mt -51.57 -84.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.219 -0.925 . . . . 0.0 109.839 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.604 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 33.9 t0 62.3 -67.25 0.07 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.439 0.638 . . . . 0.0 110.047 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.734 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 25.7 p90 -75.9 -52.74 9.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.361 -0.837 . . . . 0.0 111.962 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.734 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 38.4 m95 -19.48 -53.89 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.609 0 CA-C-O 121.73 0.776 . . . . 0.0 111.283 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -47.74 -51.34 22.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.74 -0.6 . . . . 0.0 111.214 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -83.06 -1.21 52.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.945 -1.097 . . . . 0.0 111.093 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 3.3 m-70 -117.94 -72.72 0.67 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 110.297 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER 41.56 -158.73 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.228 -0.92 . . . . 0.0 110.207 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -86.8 -59.21 2.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.551 -0.718 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 43.5 tp 55.75 -88.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.212 -0.93 . . . . 0.0 110.277 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' N ' ' HG ' ' A' ' 10' ' ' LEU . . . 62.18 143.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.283 -0.885 . . . . 0.0 110.181 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.712 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -55.64 -81.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.133 -0.979 . . . . 0.0 109.653 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.615 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.4 OUTLIER 59.63 -68.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.305 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.737 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 25.6 p90 -75.44 -48.33 23.25 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.737 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.9 m95 -27.38 -44.06 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 CA-C-O 122.18 0.991 . . . . 0.0 109.915 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.45 -50.3 60.04 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.854 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 -2.21 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.259 -0.901 . . . . 0.0 111.527 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.633 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 3.5 m-70 -115.57 -138.81 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.952 -1.092 . . . . 0.0 110.657 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER 64.5 171.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.933 -179.391 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -42.53 -26.94 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.425 -0.797 . . . . 0.0 110.138 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 8' ' ' LYS . 8.4 tt -47.0 -43.89 19.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.89 . . . . 0.0 110.188 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.58 101.36 4.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.166 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.676 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -44.86 -80.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.182 -0.949 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.621 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 64.2 t0 60.92 -70.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.092 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 46.3 p90 -75.64 -53.32 8.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 111.835 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 38.1 m95 -16.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.566 0.698 . . . . 0.0 111.569 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.3 tp -36.35 -51.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.903 -0.498 . . . . 0.0 111.059 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 12.55 18.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.997 -1.064 . . . . 0.0 111.206 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.0 m-70 -124.66 -13.5 6.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.023 -1.048 . . . . 0.0 110.261 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LEU . 12.0 ptpt -95.43 -164.88 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 80.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -0.88 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.59 -58.02 2.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.897 . . . . 0.0 110.167 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.47 53.44 0.79 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.221 -0.924 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.721 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -48.33 -79.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.614 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 31.8 t0 60.19 -71.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.434 0.635 . . . . 0.0 110.271 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 35.5 p90 -75.89 -42.5 48.94 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 112.423 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' HA ' ' A' ' 1' ' ' ILE . 41.3 m95 -30.57 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.498 -0.751 . . . . 0.0 110.403 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.45 -55.24 1.08 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HB1' ' CD2' ' A' ' 7' ' ' HIS . . . -90.33 -129.72 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 40.57 -118.3 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.083 -1.01 . . . . 0.0 110.113 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 2.7 mmmp? 57.66 -163.39 0.19 Allowed 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.904 -1.123 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -41.45 -41.52 2.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.557 -0.714 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.99 86.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.81 -178.45 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.679 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.61 -78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.06 -1.025 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.627 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.3 m-20 60.4 -71.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.326 0.584 . . . . 0.0 110.167 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 47.8 p90 -75.63 -53.41 8.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 111.721 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 39.9 m95 -17.37 -53.42 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.756 0 CA-C-O 121.71 0.767 . . . . 0.0 111.62 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.8 tp -36.67 -48.99 0.74 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.968 -0.457 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.67 11.35 22.43 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.021 -1.049 . . . . 0.0 111.422 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.666 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.3 m-70 -125.25 -144.52 0.32 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.936 -1.103 . . . . 0.0 109.976 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HD2' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER 41.03 -140.68 0.09 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.198 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.49 134.66 46.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.489 -0.757 . . . . 0.0 110.145 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -160.21 -58.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.184 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -128.58 -168.07 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 110.188 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.698 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -45.31 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.194 -0.941 . . . . 0.0 109.57 . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.627 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 60.2 t0 60.08 -71.37 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.362 0.601 . . . . 0.0 110.32 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.69 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 46.6 p90 -75.62 -44.45 42.8 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.941 . . . . 0.0 112.06 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.698 ' CD1' ' HA ' ' A' ' 1' ' ' ILE . 44.4 m95 -29.99 -39.71 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.598 -0.689 . . . . 0.0 110.238 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.5 tp -35.08 -51.39 0.54 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 -128.5 0.08 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.588 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.7 OUTLIER 36.14 -127.83 0.13 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.346 -0.846 . . . . 0.0 110.14 178.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' LEU . 17.7 mmtt 59.7 166.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.017 -1.052 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 68.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.295 -0.878 . . . . 0.0 110.137 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -103.71 7.61 37.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.57 130.62 9.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.67 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -46.3 -80.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.187 -0.945 . . . . 0.0 109.558 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.7 t0 61.24 -70.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.335 0.588 . . . . 0.0 110.036 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.9 p90 -75.71 -53.41 8.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 111.89 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.1 m95 -16.73 -55.06 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.721 0 CA-C-O 121.685 0.755 . . . . 0.0 111.519 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.7 tp -36.47 -52.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.876 -0.515 . . . . 0.0 111.026 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.25 8.04 35.21 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.06 -1.025 . . . . 0.0 111.102 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.5 m-70 -121.62 -117.56 0.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 0.0 110.159 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 0.8 OUTLIER 66.07 -143.02 0.18 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.866 -1.146 . . . . 0.0 109.93 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -27.69 62.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.455 -0.778 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.21 -24.2 43.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 110.207 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.5 108.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.0 110.211 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . 0.42 ' N ' ' HA ' ' A' ' 7' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.661 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 8.4 mm -43.23 -89.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.577 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 3.4 t0 64.36 -70.36 0.08 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.688 -0.632 . . . . 0.0 110.112 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 52.8 p90 -75.87 -55.98 5.1 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.955 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.664 ' NE1' ' CZ ' ' A' ' 3' ' ' TYR . 45.8 m95 -14.84 -55.8 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tp -35.74 -45.03 0.36 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 120.995 0.426 . . . . 0.0 111.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.61 21.86 3.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.991 -1.068 . . . . 0.0 111.724 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.9 OUTLIER -133.09 -28.77 1.5 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.731 -1.23 . . . . 0.0 110.411 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 7' ' ' HIS . 44.5 mtpt -55.29 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 59.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 110.16 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -105.45 4.93 31.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 110.229 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 173.01 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.293 -0.879 . . . . 0.0 110.176 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.763 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.674 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.38 -79.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.125 -0.985 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.624 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 2.2 m-20 61.04 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.73 -0.606 . . . . 0.0 110.203 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 49.9 p90 -75.79 -54.18 7.33 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 111.786 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.694 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.1 m95 -15.82 -54.18 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 CA-C-O 121.71 0.766 . . . . 0.0 111.757 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.47 -50.52 0.59 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.843 -0.536 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 18.57 6.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.983 -1.073 . . . . 0.0 111.453 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.667 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.0 m-70 -127.81 -147.49 0.35 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.864 -1.148 . . . . 0.0 110.096 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 4' ' ' TRP . 8.8 mmmt 64.9 8.85 4.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.451 -0.781 . . . . 0.0 110.347 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.04 -38.72 12.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.518 -0.739 . . . . 0.0 109.439 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.04 -24.74 19.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.622 -0.674 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 176.9 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.665 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.9 -78.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.151 -0.968 . . . . 0.0 109.421 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.622 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.4 m-20 60.67 -71.68 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.752 -0.592 . . . . 0.0 110.211 -179.314 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.56 -54.78 6.45 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.287 -0.883 . . . . 0.0 111.691 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.665 ' CD1' ' HA ' ' A' ' 1' ' ' ILE . 43.9 m95 -15.76 -53.88 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.675 0 CA-C-O 121.564 0.697 . . . . 0.0 111.791 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.2 tp -36.41 -44.17 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.901 -0.499 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.66 18.09 6.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.048 -1.032 . . . . 0.0 111.588 -179.333 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.686 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -139.25 60.49 1.58 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.79 -1.194 . . . . 0.0 109.786 -179.571 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -107.4 -158.08 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 110.302 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.63 107.97 1.29 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 0.9 OUTLIER -161.96 171.08 18.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 110.237 -179.789 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 10' ' ' LEU . . . 55.83 -166.04 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.0 110.197 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.646 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.1 mt -45.62 -81.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.199 -0.938 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.619 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 18.5 t0 62.03 -69.32 0.06 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.642 -0.662 . . . . 0.0 110.163 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.5 p90 -75.76 -56.35 4.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 111.759 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.4 m95 -13.95 -57.53 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.673 0.749 . . . . 0.0 111.722 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.6 tp -35.04 -47.17 0.36 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.976 -0.453 . . . . 0.0 111.47 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.66 23.58 3.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.921 -1.112 . . . . 0.0 111.915 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.6 m-70 -131.35 -71.34 0.57 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.668 -1.27 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' HIS . 8.3 mmtt 43.04 -141.75 0.14 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.197 -0.939 . . . . 0.0 110.037 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.48 36.54 0.79 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.832 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.27 168.34 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.48 -156.17 0.52 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 110.196 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.666 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.2 mp -45.24 -78.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.154 -0.966 . . . . 0.0 109.469 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.624 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 60.57 -70.79 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.757 -0.589 . . . . 0.0 110.207 -179.416 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 52.5 p90 -75.45 -56.2 4.94 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' CD1' ' HA ' ' A' ' 1' ' ' ILE . 44.4 m95 -15.0 -56.15 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.755 0 CA-C-O 121.655 0.74 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -37.17 -42.84 0.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.817 -0.552 . . . . 0.0 110.855 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.52 20.72 4.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.882 -1.136 . . . . 0.0 111.561 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.677 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -135.67 -35.52 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.814 -1.179 . . . . 0.0 110.032 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HE2' ' CZ3' ' A' ' 4' ' ' TRP . 17.2 mmtt -87.58 20.78 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.4 -67.65 0.83 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 0.0 109.979 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -66.54 83.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.62 109.51 0.73 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.92 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.682 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.672 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.24 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.621 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.25 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.8 -0.563 . . . . 0.0 110.076 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 48.8 p90 -75.68 -54.59 6.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 111.816 -179.444 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.694 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 38.9 m95 -15.4 -54.73 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 CA-C-O 121.673 0.749 . . . . 0.0 111.721 -179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.05 -51.25 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.973 -0.454 . . . . 0.0 111.22 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.547 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.42 18.52 6.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.962 -1.086 . . . . 0.0 111.486 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.66 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -127.38 1.79 6.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.153 . . . . 0.0 110.222 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 18.4 mtpp -88.95 22.57 2.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.116 -0.99 . . . . 0.0 110.094 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.44 1.28 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.466 -0.771 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.54 -52.7 4.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 110.186 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.39 52.32 0.88 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.766 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mt -46.24 -82.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.22 -0.925 . . . . 0.0 109.711 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.612 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.4 t70 61.81 -69.45 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.735 -0.603 . . . . 0.0 110.058 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 38.4 p90 -75.75 -51.71 12.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.414 -0.804 . . . . 0.0 112.128 -179.362 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.0 m95 -18.99 -53.17 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 121.717 0.77 . . . . 0.0 111.245 -179.455 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -41.99 -51.75 4.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.775 -0.578 . . . . 0.0 110.735 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . . . -90.22 -0.4 57.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.086 -1.009 . . . . 0.0 111.15 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.644 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.0 m-70 -120.08 57.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.914 -1.116 . . . . 0.0 110.158 -179.341 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 27.0 mmmt -107.81 -146.47 0.4 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.202 -0.936 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -43.74 -26.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.126 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' LYS . 14.9 tp -62.78 -53.98 46.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 110.205 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.48 40.83 1.22 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.931 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.6 mt -46.58 -82.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.806 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.613 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 48.5 t0 62.23 -69.11 0.06 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.372 0.606 . . . . 0.0 110.068 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.727 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 40.9 p90 -75.74 -53.68 8.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 112.003 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.727 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.8 m95 -16.75 -55.84 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 121.871 0.843 . . . . 0.0 111.316 -179.551 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.3 tp -38.85 -51.97 1.74 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.771 -0.581 . . . . 0.0 111.011 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . . . -90.22 3.61 53.01 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.034 -1.041 . . . . 0.0 111.188 -179.182 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -121.12 30.12 6.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.923 -1.111 . . . . 0.0 110.157 -179.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 5.0 mtpt -94.55 -144.97 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 110.205 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.53 59.13 2.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.89 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.13 -37.01 4.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.167 -0.958 . . . . 0.0 110.22 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 77.45 1.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.242 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.69 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -53.92 -81.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.149 -0.969 . . . . 0.0 109.506 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.603 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 36.7 t0 61.01 -70.05 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.419 0.628 . . . . 0.0 110.076 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.726 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 35.2 p90 -75.93 -51.48 12.36 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 111.984 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.726 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.3 m95 -19.71 -53.09 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.862 0.839 . . . . 0.0 111.133 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 38.9 tp -44.97 -50.08 10.79 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.109 0.48 . . . . 0.0 111.044 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.3 -0.85 57.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.101 -0.999 . . . . 0.0 111.31 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.629 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 3.4 m-70 -118.2 -75.4 0.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.941 -1.099 . . . . 0.0 110.713 -178.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 21.1 mttt 54.5 166.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.04 . . . . 0.0 110.094 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.34 91.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.221 -0.924 . . . . 0.0 110.193 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -123.91 114.73 20.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.154 -0.966 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.19 65.92 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.675 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.49 -80.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.139 -0.976 . . . . 0.0 109.589 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.611 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 28.7 m-20 60.94 -70.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.335 0.588 . . . . 0.0 110.203 -179.295 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.712 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.0 p90 -75.78 -52.79 9.64 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 111.792 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.3 m95 -17.39 -54.45 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.721 0.772 . . . . 0.0 111.308 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.4 tp -37.37 -53.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.785 -0.572 . . . . 0.0 110.879 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.47 6.13 44.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.022 -1.049 . . . . 0.0 111.304 -179.401 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.648 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.27 -33.26 3.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.972 -1.08 . . . . 0.0 110.48 -179.129 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -88.68 24.96 1.85 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.101 -1.0 . . . . 0.0 110.202 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.15 -12.33 38.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.376 -0.827 . . . . 0.0 109.967 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 3.4 tm? -118.5 -36.33 3.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.0 110.134 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.0 143.69 30.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.177 -0.952 . . . . 0.0 110.162 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.787 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.683 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -44.78 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 . . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.612 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.0 OUTLIER 60.71 -71.41 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.402 0.62 . . . . 0.0 110.248 -179.295 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.704 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.2 p90 -75.92 -45.68 33.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 112.323 -179.024 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.8 m95 -26.92 -44.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 121.505 0.669 . . . . 0.0 110.7 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.0 tp -36.81 -51.33 0.89 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.273 0.559 . . . . 0.0 109.927 179.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.571 ' HB1' ' CD2' ' A' ' 7' ' ' HIS . . . -90.3 -133.02 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.417 178.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.571 ' CD2' ' HB1' ' A' ' 6' ' ' ALA . 0.4 OUTLIER 37.07 -87.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.468 -0.77 . . . . 0.0 111.139 179.56 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER 47.43 -131.35 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.407 -1.433 . . . . 0.0 110.18 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -39.83 -26.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.277 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' HD21 ' A' ' 10' ' ' LEU . 3.2 mm? -42.15 -59.15 1.87 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.037 -1.039 . . . . 0.0 110.315 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.33 54.47 8.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.319 -0.863 . . . . 0.0 110.178 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.727 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.666 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mt -45.31 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.079 -1.013 . . . . 0.0 109.735 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.623 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 2.8 m-20 62.1 -69.25 0.06 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.702 -0.624 . . . . 0.0 110.135 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.9 p90 -75.85 -53.98 7.62 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 111.941 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.9 m95 -16.24 -53.75 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.703 0.764 . . . . 0.0 111.662 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.5 tp -36.01 -50.91 0.71 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.81 -0.556 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 15.28 10.97 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 111.251 -179.419 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.661 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.8 m-70 -127.0 -31.52 2.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.951 -1.093 . . . . 0.0 110.073 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 8.0 ptmt -87.95 19.65 3.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.32 -25.26 20.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.462 -0.774 . . . . 0.0 109.781 179.618 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.533 ' CD1' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.86 -1.17 49.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 0.0 110.161 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 66.03 126.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.0 110.225 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.672 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.657 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.2 mp -44.54 -77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.627 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 8.8 m-20 59.55 -70.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.886 -0.509 . . . . 0.0 110.363 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.14 -54.7 6.68 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.954 -179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.672 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 46.2 m95 -18.7 -50.49 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 CA-C-O 121.722 0.772 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -35.08 -47.57 0.38 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 179.577 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.87 22.22 3.73 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.043 -1.036 . . . . 0.0 112.006 -179.534 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.678 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -133.9 -52.32 0.85 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.634 -1.291 . . . . 0.0 109.794 -179.874 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 7' ' ' HIS . 3.9 ptmt -54.8 -162.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.29 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.907 . . . . 0.0 110.31 -179.896 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 5.5 tp 56.78 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.331 179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.33 118.29 9.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.415 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.664 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -45.53 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.128 -0.982 . . . . 0.0 109.459 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.62 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.7 OUTLIER 60.74 -70.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.85 -0.531 . . . . 0.0 110.333 -179.514 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 53.4 p90 -75.58 -55.47 5.63 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.231 -0.918 . . . . 0.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' NE1' ' CZ ' ' A' ' 3' ' ' TYR . 44.4 m95 -15.24 -55.33 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 121.64 0.733 . . . . 0.0 111.887 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.2 tp -36.96 -44.75 0.52 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.834 -0.541 . . . . 0.0 111.389 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.44 24.31 2.65 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.962 -1.086 . . . . 0.0 111.726 -179.059 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.657 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.2 m-70 -134.02 -135.4 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.747 -1.221 . . . . 0.0 109.788 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' LEU . 19.9 mttt 63.61 178.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 77.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.049 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -124.4 -62.84 1.23 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 110.17 -179.744 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 10' ' ' LEU . . . 60.46 135.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.0 110.474 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.67 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -45.92 -81.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.104 -0.998 . . . . 0.0 109.657 . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.618 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 47.9 t0 61.61 -69.9 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.66 -0.65 . . . . 0.0 110.042 -179.273 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 42.0 p90 -75.77 -53.85 7.86 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 111.885 -179.401 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.715 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.6 m95 -16.24 -55.96 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.704 0.764 . . . . 0.0 111.423 -179.61 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.9 tp -37.12 -52.45 1.0 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.866 -0.521 . . . . 0.0 111.071 179.812 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.28 7.74 36.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.982 -1.074 . . . . 0.0 111.228 -179.321 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.9 m-70 -121.67 -117.24 0.3 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 110.209 -179.138 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 2.3 mmmt 62.86 -142.94 0.38 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.952 -1.093 . . . . 0.0 109.945 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.21 -10.53 55.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.461 -0.774 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -95.27 165.06 12.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.903 . . . . 0.0 110.226 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 175.5 -175.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.688 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 2.2 mt -48.71 -84.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.147 -0.971 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.605 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.63 -67.73 0.08 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.725 -0.609 . . . . 0.0 110.048 -179.106 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 29.2 p90 -75.9 -52.12 11.0 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.435 -0.791 . . . . 0.0 112.177 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.738 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.4 m95 -19.24 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.74 0.781 . . . . 0.0 111.561 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.3 tp -47.23 -49.05 23.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.769 -0.582 . . . . 0.0 111.704 -179.554 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -89.25 5.95 42.49 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 111.421 -178.746 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.641 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 4.9 m-70 -119.15 -107.28 0.37 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.028 -1.045 . . . . 0.0 110.46 -178.802 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER 58.66 -143.36 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.821 -1.174 . . . . 0.0 109.962 -179.711 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -90.07 148.48 23.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.435 -0.791 . . . . 0.0 110.206 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -177.47 39.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.217 179.908 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.55 -155.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.738 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.678 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -46.64 -78.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.609 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 18.2 t70 59.35 -70.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 0.0 110.26 -179.226 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.5 p90 -75.68 -51.93 11.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 111.943 -179.439 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.9 m95 -18.19 -54.23 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 CA-C-O 121.764 0.792 . . . . 0.0 111.197 -179.533 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -39.6 -52.78 2.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.809 -0.557 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 0.5 57.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.078 -1.014 . . . . 0.0 111.11 -179.555 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.637 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.2 m-70 -120.27 59.89 0.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.019 -1.051 . . . . 0.0 110.163 -179.343 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -116.01 -159.7 0.73 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 62.92 0.35 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.205 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -146.35 78.41 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 0.0 110.245 179.898 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . 65.79 152.36 0.06 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.66 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.8 mt -45.49 -83.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.803 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.616 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.58 -68.82 0.07 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 -179.24 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.7 p90 -75.73 -54.11 7.46 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.311 -0.868 . . . . 0.0 112.045 -179.301 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 36.6 m95 -16.27 -54.62 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.713 0.768 . . . . 0.0 111.575 -179.521 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.5 tp -36.45 -50.71 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.891 -0.505 . . . . 0.0 111.282 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 12.22 19.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.981 -1.074 . . . . 0.0 111.177 -179.429 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.1 m-70 -124.55 -146.21 0.35 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.991 -1.068 . . . . 0.0 110.098 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' HD2' ' CE3' ' A' ' 4' ' ' TRP . 6.7 mmpt? 57.9 -140.44 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 121.42 15.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.376 -0.828 . . . . 0.0 109.793 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.13 175.68 8.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.405 -179.73 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.07 127.12 39.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.153 -0.967 . . . . 0.0 110.226 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.67 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.3 mp -44.75 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.222 -0.924 . . . . 0.0 109.565 . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.622 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.37 -70.55 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.272 0.558 . . . . 0.0 110.047 -179.38 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.7 p90 -75.66 -55.6 5.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 111.728 -179.453 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.683 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 40.5 m95 -14.9 -56.19 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.674 0 CA-C-O 121.754 0.788 . . . . 0.0 111.744 -179.567 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' TYR . 9.3 tp -35.9 -47.66 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.888 -0.508 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 19.3 5.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.947 -1.096 . . . . 0.0 111.558 -179.342 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.667 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 1.6 m-70 -129.84 -39.98 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.876 -1.14 . . . . 0.0 109.961 -179.701 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.4 ptpt -64.02 -144.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.121 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.41 -50.88 5.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.15 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.263 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -118.12 63.35 0.76 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.918 . . . . 0.0 110.19 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.661 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.8 mt -45.91 -84.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.618 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 2.1 m-20 62.72 -68.37 0.07 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.653 -0.654 . . . . 0.0 109.97 -179.086 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.727 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 39.9 p90 -75.86 -54.71 6.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.368 -0.832 . . . . 0.0 112.0 -179.462 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.727 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 35.0 m95 -15.77 -56.07 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.707 0.765 . . . . 0.0 111.636 -179.493 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.5 tp -36.82 -51.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.929 -0.482 . . . . 0.0 111.327 -179.817 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.18 11.57 20.63 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.987 -179.298 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.639 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.9 m-70 -122.85 -116.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.126 -0.984 . . . . 0.0 110.181 -179.229 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 12.7 mttt 59.73 161.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.911 -1.118 . . . . 0.0 110.285 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.93 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.27 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . 1.3 tt -134.73 109.03 8.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.888 . . . . 0.0 110.176 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.9 -166.11 2.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.24 -0.913 . . . . 0.0 110.334 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.722 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.676 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.4 mp -47.71 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.194 -0.941 . . . . 0.0 109.678 . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.615 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 61.45 -70.26 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.405 0.621 . . . . 0.0 110.014 -179.275 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.3 p90 -75.7 -53.54 8.38 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.302 -0.874 . . . . 0.0 111.92 -179.358 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.715 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 37.0 m95 -16.58 -55.17 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 CA-C-O 121.687 0.755 . . . . 0.0 111.447 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.6 tp -36.86 -52.38 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.937 -0.477 . . . . 0.0 110.987 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.29 8.0 35.53 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.149 -0.969 . . . . 0.0 111.094 -179.312 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -122.47 7.52 9.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.96 -1.087 . . . . 0.0 110.262 -179.168 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -87.71 -159.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 0.0 110.135 179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 10' ' ' LEU . . . -57.41 104.93 0.2 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.117 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 6.2 tp -177.42 126.46 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.95 -170.1 2.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.657 ' HA ' ' CD1' ' A' ' 4' ' ' TRP . 1.1 mt -49.51 -80.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.621 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 1.2 m-20 59.77 -68.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.09 0.472 . . . . 0.0 110.345 -179.064 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.1 p90 -75.69 -55.17 5.91 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.261 -0.899 . . . . 0.0 111.686 -179.455 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 3' ' ' TYR . 38.7 m95 -15.44 -56.02 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 121.845 0.831 . . . . 0.0 111.495 -179.683 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 19.3 tp -35.1 -50.84 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.963 -0.46 . . . . 0.0 111.526 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.47 17.01 7.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.97 -1.081 . . . . 0.0 111.565 -179.196 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.657 ' CD2' ' N ' ' A' ' 7' ' ' HIS . 2.3 m-70 -126.52 -72.83 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.848 -1.157 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' HIS . 12.6 mmtp 43.68 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.13 -0.981 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 54.86 2.95 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.552 -0.718 . . . . 0.0 110.184 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.08 171.03 7.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.286 -0.884 . . . . 0.0 110.512 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.28 178.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.044 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -46.5 -80.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.181 -0.95 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.862 ' N ' HG22 ' A' ' 1' ' ' ILE . 5.7 t0 61.05 -70.1 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.837 -0.54 . . . . 0.0 110.095 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 44.5 p90 -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.375 -0.828 . . . . 0.0 111.895 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.044 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.9 m95 -16.87 -54.61 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.372 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -36.59 -53.73 0.88 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.946 -0.471 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.4 6.77 41.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.128 -0.982 . . . . 0.0 111.105 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.715 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -122.91 -64.47 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 110.311 -179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.4 mmmm 58.98 148.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.27 -0.894 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.98 -26.69 67.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.152 -0.968 . . . . 0.0 110.128 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.3 OUTLIER 34.48 -156.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.241 0.543 . . . . 0.0 111.17 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 170.05 42.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.771 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.069 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.5 mt -47.35 -82.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.154 -0.966 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 24.5 t0 62.2 -69.12 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.344 0.592 . . . . 0.0 110.131 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 42.3 p90 -75.85 -53.57 8.24 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 111.992 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.069 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.9 m95 -16.69 -55.11 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.713 0 CA-C-O 121.709 0.766 . . . . 0.0 111.455 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.9 tp -36.79 -52.34 0.91 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.903 -0.498 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.31 7.3 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.11 -0.994 . . . . 0.0 111.085 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -122.65 26.99 8.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.073 -1.017 . . . . 0.0 110.203 -179.251 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -111.57 -148.07 0.43 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 110.168 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -44.38 -25.88 0.29 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -56.39 -29.95 62.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.224 -0.923 . . . . 0.0 110.191 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.92 56.49 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.714 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.058 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -52.07 -81.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.884 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 59.72 -68.46 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.195 0.522 . . . . 0.0 110.327 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 37.6 p90 -75.17 -52.2 11.54 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.161 -0.962 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.058 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.0 m95 -22.29 -50.38 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 122.018 0.914 . . . . 0.0 110.152 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -38.0 -52.22 1.38 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.683 179.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.45 1.9 56.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 111.251 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.717 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -117.9 -49.46 2.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 110.538 -178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 6.4 mmpt? 43.03 -141.89 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.093 -1.004 . . . . 0.0 110.046 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 10' ' ' LEU . . . -47.88 -31.78 5.48 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 10' ' ' LEU . 3.6 tt 56.25 112.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.353 -0.842 . . . . 0.0 110.226 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.71 -165.55 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.051 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mt -45.08 -81.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.873 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER 62.32 -69.52 0.06 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.713 -0.617 . . . . 0.0 110.247 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.72 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 51.9 p90 -75.82 -55.72 5.37 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.234 -0.916 . . . . 0.0 111.824 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.051 ' HB2' HG23 ' A' ' 1' ' ' ILE . 39.9 m95 -14.34 -56.52 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.599 0 CA-C-O 121.568 0.699 . . . . 0.0 111.734 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.7 tp -33.74 -50.37 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.51 22.85 3.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 111.84 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.72 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -129.04 -137.94 0.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.652 -1.28 . . . . 0.0 110.199 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 6.8 mttt 67.37 -143.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -0.949 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . . . -55.33 -164.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 110.207 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER 54.95 102.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.22 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.8 61.31 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.169 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.107 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -44.67 -80.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 7.6 t0 61.91 -69.57 0.05 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.709 -0.62 . . . . 0.0 110.114 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 52.8 p90 -75.73 -56.12 4.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 111.668 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.107 ' HB2' HG23 ' A' ' 1' ' ' ILE . 42.8 m95 -15.41 -55.35 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.714 0.769 . . . . 0.0 111.754 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.0 tp -36.57 -44.19 0.44 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.94 -0.475 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.5 21.81 3.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.918 -1.114 . . . . 0.0 111.615 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -133.39 -68.84 0.56 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.694 -1.254 . . . . 0.0 109.907 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' HIS . 14.9 mmtp 50.85 175.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.89 17.19 3.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.416 -0.803 . . . . 0.0 110.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -58.61 125.55 23.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.264 -0.897 . . . . 0.0 110.203 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -177.2 155.68 1.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.063 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.6 mt -47.02 -82.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.176 -0.952 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 33.2 t0 62.07 -68.85 0.06 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.704 -0.623 . . . . 0.0 110.117 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.732 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 41.9 p90 -75.93 -53.91 7.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.319 -0.863 . . . . 0.0 111.954 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.063 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.2 m95 -16.49 -55.67 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.664 0 CA-C-O 121.655 0.741 . . . . 0.0 111.402 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -37.14 -51.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.843 -0.536 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.24 7.15 39.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.947 -1.096 . . . . 0.0 111.04 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.732 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -122.25 5.59 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.035 -1.04 . . . . 0.0 110.2 -179.175 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' LEU . 1.1 mmmp? -104.45 -155.19 0.53 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.51 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -167.79 108.7 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 110.241 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.33 19.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.43 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 8.6 mm -42.91 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.802 ' N ' HG22 ' A' ' 1' ' ' ILE . 4.2 m-20 64.01 -70.38 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.719 -0.613 . . . . 0.0 110.197 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.722 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 50.9 p90 -76.04 -54.64 6.54 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 112.002 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 42.0 m95 -15.15 -54.46 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.69 0 CA-C-O 121.567 0.698 . . . . 0.0 111.844 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.4 tp -34.38 -51.58 0.46 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.98 -0.45 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.57 20.08 4.87 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.901 -1.124 . . . . 0.0 111.523 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.722 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -128.56 -137.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.821 -1.174 . . . . 0.0 110.112 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' LEU . 25.7 mtpt 64.77 173.36 0.2 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 110.16 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -40.52 -27.78 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.468 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.07 52.93 1.88 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.165 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.62 115.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -44.98 -81.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.169 -0.957 . . . . 0.0 109.673 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.86 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER 61.42 -70.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.705 -0.622 . . . . 0.0 110.015 -179.294 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.737 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 45.3 p90 -75.7 -54.45 6.94 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.308 -0.87 . . . . 0.0 111.861 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.5 m95 -15.65 -54.64 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 CA-C-O 121.692 0.758 . . . . 0.0 111.717 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.0 tp -35.62 -51.78 0.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.898 -0.501 . . . . 0.0 111.2 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.53 15.29 11.1 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.914 -1.116 . . . . 0.0 111.328 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -126.22 17.9 7.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.924 -1.11 . . . . 0.0 110.341 -179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 45.4 mtpt -87.91 18.49 4.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.145 -0.972 . . . . 0.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.42 -59.7 2.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -48.43 -63.44 1.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.388 -0.82 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.12 82.35 0.33 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.039 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -48.21 -81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 15.5 t0 60.99 -69.66 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.762 -0.586 . . . . 0.0 110.148 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.764 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 38.9 p90 -75.84 -53.4 8.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.343 -0.848 . . . . 0.0 111.943 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.039 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.2 m95 -16.69 -57.86 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 CA-C-O 121.851 0.834 . . . . 0.0 111.265 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' TYR . 14.0 tp -41.02 -49.87 3.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.899 -0.501 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.25 0.41 57.23 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.056 -1.027 . . . . 0.0 111.452 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.764 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -119.24 -70.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.078 . . . . 0.0 110.623 -178.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 7.1 mttm 43.59 -142.71 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.167 -0.958 . . . . 0.0 109.981 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.41 -51.47 10.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 0.0 110.129 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -48.54 133.36 16.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.0 110.162 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 173.59 93.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 110.184 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.086 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -44.95 -80.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.173 -0.954 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 20.9 m-20 61.86 -69.96 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.742 -0.599 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.723 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 51.8 p90 -75.74 -55.36 5.72 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.224 -0.922 . . . . 0.0 111.831 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.086 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.7 m95 -15.18 -55.55 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.528 0.68 . . . . 0.0 111.678 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -35.37 -48.55 0.48 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.963 -0.46 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.38 19.81 4.93 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.969 -1.082 . . . . 0.0 111.662 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.723 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -130.47 -142.79 0.24 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 3.1 mtmt 62.59 172.72 0.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 10' ' ' LEU . . . -42.09 144.31 0.48 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.425 -0.797 . . . . 0.0 110.149 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.4 tm? -177.63 115.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.858 . . . . 0.0 110.178 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -156.17 179.21 9.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.232 -0.918 . . . . 0.0 110.182 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.775 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.05 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.5 mt -46.44 -82.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.136 -0.978 . . . . 0.0 109.76 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.867 ' N ' HG22 ' A' ' 1' ' ' ILE . 25.6 t0 62.07 -69.23 0.06 Allowed 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.355 0.597 . . . . 0.0 110.05 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.733 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 40.4 p90 -75.82 -53.1 9.0 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 111.957 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.05 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.7 m95 -17.38 -55.22 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 121.76 0.79 . . . . 0.0 111.223 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -39.44 -52.62 2.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.841 -0.537 . . . . 0.0 110.738 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.24 1.25 56.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.063 -1.023 . . . . 0.0 111.113 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.733 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -120.89 -1.14 9.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.007 -1.058 . . . . 0.0 110.128 -179.357 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -63.9 -163.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.205 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 105.33 4.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 0.0 110.18 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.75 -177.48 5.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.38 45.27 27.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 110.202 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 2.3 mt -51.57 -84.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.219 -0.925 . . . . 0.0 109.839 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.881 ' N ' HG22 ' A' ' 1' ' ' ILE . 33.9 t0 62.3 -67.25 0.07 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.439 0.638 . . . . 0.0 110.047 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.76 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 25.7 p90 -75.9 -52.74 9.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.361 -0.837 . . . . 0.0 111.962 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.4 m95 -19.48 -53.89 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.609 0 CA-C-O 121.73 0.776 . . . . 0.0 111.283 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -47.74 -51.34 22.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.74 -0.6 . . . . 0.0 111.214 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -83.06 -1.21 52.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.945 -1.097 . . . . 0.0 111.093 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.76 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -117.94 -72.72 0.67 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 110.297 -178.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER 41.56 -158.73 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.228 -0.92 . . . . 0.0 110.207 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -86.8 -59.21 2.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.551 -0.718 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 43.5 tp 55.75 -88.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.212 -0.93 . . . . 0.0 110.277 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 62.18 143.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.283 -0.885 . . . . 0.0 110.181 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.07 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -55.64 -81.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.133 -0.979 . . . . 0.0 109.653 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.887 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.4 OUTLIER 59.63 -68.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.305 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.737 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 25.6 p90 -75.44 -48.33 23.25 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.07 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.9 m95 -27.38 -44.06 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 CA-C-O 122.18 0.991 . . . . 0.0 109.915 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.45 -50.3 60.04 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.854 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.43 -2.21 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.259 -0.901 . . . . 0.0 111.527 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.725 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -115.57 -138.81 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.952 -1.092 . . . . 0.0 110.657 -178.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER 64.5 171.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.933 -179.391 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -42.53 -26.94 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.425 -0.797 . . . . 0.0 110.138 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 10' ' ' LEU . 8.4 tt -47.0 -43.89 19.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.89 . . . . 0.0 110.188 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.58 101.36 4.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.166 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.074 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -44.86 -80.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.182 -0.949 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 64.2 t0 60.92 -70.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.092 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 46.3 p90 -75.64 -53.32 8.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 111.835 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.074 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.1 m95 -16.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.566 0.698 . . . . 0.0 111.569 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.3 tp -36.35 -51.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.903 -0.498 . . . . 0.0 111.059 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.4 12.55 18.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.997 -1.064 . . . . 0.0 111.206 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.74 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -124.66 -13.5 6.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.023 -1.048 . . . . 0.0 110.261 -179.145 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LEU . 12.0 ptpt -95.43 -164.88 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 80.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -0.88 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.59 -58.02 2.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.897 . . . . 0.0 110.167 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.47 53.44 0.79 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.221 -0.924 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.127 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -48.33 -79.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.857 ' N ' HG22 ' A' ' 1' ' ' ILE . 31.8 t0 60.19 -71.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.434 0.635 . . . . 0.0 110.271 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 35.5 p90 -75.89 -42.5 48.94 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 112.423 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.127 ' HB2' HG23 ' A' ' 1' ' ' ILE . 41.3 m95 -30.57 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.498 -0.751 . . . . 0.0 110.403 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.45 -55.24 1.08 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' N ' ' HG ' ' A' ' 5' ' ' LEU . . . -90.33 -129.72 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 1.8 m80 40.57 -118.3 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.083 -1.01 . . . . 0.0 110.113 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 2.7 mmmp? 57.66 -163.39 0.19 Allowed 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.904 -1.123 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -41.45 -41.52 2.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.557 -0.714 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.99 86.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.81 -178.45 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.062 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.61 -78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.06 -1.025 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.865 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.3 m-20 60.4 -71.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.326 0.584 . . . . 0.0 110.167 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 47.8 p90 -75.63 -53.41 8.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 111.721 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.062 ' HB2' HG23 ' A' ' 1' ' ' ILE . 39.9 m95 -17.37 -53.42 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.756 0 CA-C-O 121.71 0.767 . . . . 0.0 111.62 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.8 tp -36.67 -48.99 0.74 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.968 -0.457 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.67 11.35 22.43 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.021 -1.049 . . . . 0.0 111.422 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.728 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -125.25 -144.52 0.32 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.936 -1.103 . . . . 0.0 109.976 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' HD2' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER 41.03 -140.68 0.09 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.198 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.49 134.66 46.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.489 -0.757 . . . . 0.0 110.145 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.21 -58.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.184 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.58 -168.07 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 110.188 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.046 HG23 ' HB2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -45.31 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.194 -0.941 . . . . 0.0 109.57 . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 60.2 t0 60.08 -71.37 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.362 0.601 . . . . 0.0 110.32 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.69 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 46.6 p90 -75.62 -44.45 42.8 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.941 . . . . 0.0 112.06 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.046 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -29.99 -39.71 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.598 -0.689 . . . . 0.0 110.238 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.5 tp -35.08 -51.39 0.54 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 7' ' ' HIS . . . -90.41 -128.5 0.08 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 36.14 -127.83 0.13 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.346 -0.846 . . . . 0.0 110.14 178.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' LEU . 17.7 mmtt 59.7 166.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.017 -1.052 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 68.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.295 -0.878 . . . . 0.0 110.137 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -103.71 7.61 37.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.57 130.62 9.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.077 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -46.3 -80.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.187 -0.945 . . . . 0.0 109.558 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.7 t0 61.24 -70.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.335 0.588 . . . . 0.0 110.036 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.736 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 43.9 p90 -75.71 -53.41 8.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 111.89 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.077 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.1 m95 -16.73 -55.06 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.721 0 CA-C-O 121.685 0.755 . . . . 0.0 111.519 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.7 tp -36.47 -52.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.876 -0.515 . . . . 0.0 111.026 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.25 8.04 35.21 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.06 -1.025 . . . . 0.0 111.102 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.736 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -121.62 -117.56 0.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 0.0 110.159 -179.117 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER 66.07 -143.02 0.18 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.866 -1.146 . . . . 0.0 109.93 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -27.69 62.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.455 -0.778 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt -79.21 -24.2 43.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 110.207 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 62.5 108.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.0 110.211 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . 0.413 ' N ' ' HA ' ' A' ' 7' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.047 HG23 ' HB2' ' A' ' 4' ' ' TRP . 8.4 mm -43.23 -89.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.799 ' N ' HG22 ' A' ' 1' ' ' ILE . 3.4 t0 64.36 -70.36 0.08 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.688 -0.632 . . . . 0.0 110.112 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.67 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 52.8 p90 -75.87 -55.98 5.1 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.955 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.047 ' HB2' HG23 ' A' ' 1' ' ' ILE . 45.8 m95 -14.84 -55.8 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tp -35.74 -45.03 0.36 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 120.995 0.426 . . . . 0.0 111.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.61 21.86 3.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.991 -1.068 . . . . 0.0 111.724 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.67 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -133.09 -28.77 1.5 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.731 -1.23 . . . . 0.0 110.411 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 7' ' ' HIS . 44.5 mtpt -55.29 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 59.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 110.16 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -105.45 4.93 31.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 110.229 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 173.01 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.293 -0.879 . . . . 0.0 110.176 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.763 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.105 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.38 -79.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.125 -0.985 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.2 m-20 61.04 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.73 -0.606 . . . . 0.0 110.203 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 49.9 p90 -75.79 -54.18 7.33 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 111.786 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.105 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.1 m95 -15.82 -54.18 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 CA-C-O 121.71 0.766 . . . . 0.0 111.757 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.47 -50.52 0.59 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.843 -0.536 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.41 18.57 6.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.983 -1.073 . . . . 0.0 111.453 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -127.81 -147.49 0.35 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.864 -1.148 . . . . 0.0 110.096 -179.522 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 4' ' ' TRP . 8.8 mmmt 64.9 8.85 4.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.451 -0.781 . . . . 0.0 110.347 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.04 -38.72 12.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.518 -0.739 . . . . 0.0 109.439 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.04 -24.74 19.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.622 -0.674 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 176.9 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.079 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.9 -78.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.151 -0.968 . . . . 0.0 109.421 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.854 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.4 m-20 60.67 -71.68 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.752 -0.592 . . . . 0.0 110.211 -179.314 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.56 -54.78 6.45 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.287 -0.883 . . . . 0.0 111.691 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.079 ' HB2' HG23 ' A' ' 1' ' ' ILE . 43.9 m95 -15.76 -53.88 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.675 0 CA-C-O 121.564 0.697 . . . . 0.0 111.791 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.2 tp -36.41 -44.17 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.901 -0.499 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . . . -90.66 18.09 6.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.048 -1.032 . . . . 0.0 111.588 -179.333 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.643 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -139.25 60.49 1.58 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.79 -1.194 . . . . 0.0 109.786 -179.571 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' HD23 ' A' ' 10' ' ' LEU . 5.1 mmtp -107.4 -158.08 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 110.302 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.63 107.97 1.29 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -161.96 171.08 18.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 110.237 -179.789 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 10' ' ' LEU . . . 55.83 -166.04 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.0 110.197 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.057 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -45.62 -81.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.199 -0.938 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 18.5 t0 62.03 -69.32 0.06 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.642 -0.662 . . . . 0.0 110.163 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.5 p90 -75.76 -56.35 4.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 111.759 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.057 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.4 m95 -13.95 -57.53 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.673 0.749 . . . . 0.0 111.722 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.6 tp -35.04 -47.17 0.36 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.976 -0.453 . . . . 0.0 111.47 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.66 23.58 3.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.921 -1.112 . . . . 0.0 111.915 -178.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.682 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -131.35 -71.34 0.57 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.668 -1.27 . . . . 0.0 110.384 -179.955 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' HIS . 8.3 mmtt 43.04 -141.75 0.14 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.197 -0.939 . . . . 0.0 110.037 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.48 36.54 0.79 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.832 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.27 168.34 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.48 -156.17 0.52 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 110.196 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.2 mp -45.24 -78.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.154 -0.966 . . . . 0.0 109.469 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.86 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 60.57 -70.79 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.757 -0.589 . . . . 0.0 110.207 -179.416 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 52.5 p90 -75.45 -56.2 4.94 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -15.0 -56.15 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.755 0 CA-C-O 121.655 0.74 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -37.17 -42.84 0.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.817 -0.552 . . . . 0.0 110.855 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.52 20.72 4.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.882 -1.136 . . . . 0.0 111.561 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -135.67 -35.52 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.814 -1.179 . . . . 0.0 110.032 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HE2' ' CZ3' ' A' ' 4' ' ' TRP . 17.2 mmtt -87.58 20.78 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.4 -67.65 0.83 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 0.0 109.979 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -66.54 83.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.62 109.51 0.73 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.92 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.682 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.083 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.24 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.25 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.8 -0.563 . . . . 0.0 110.076 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 48.8 p90 -75.68 -54.59 6.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 111.816 -179.444 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.083 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.9 m95 -15.4 -54.73 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 CA-C-O 121.673 0.749 . . . . 0.0 111.721 -179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.05 -51.25 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.973 -0.454 . . . . 0.0 111.22 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.42 18.52 6.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.962 -1.086 . . . . 0.0 111.486 -179.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.724 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -127.38 1.79 6.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.153 . . . . 0.0 110.222 -179.371 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 18.4 mtpp -88.95 22.57 2.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.116 -0.99 . . . . 0.0 110.094 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.44 1.28 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.466 -0.771 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.54 -52.7 4.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 110.186 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.39 52.32 0.88 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.766 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mt -46.24 -82.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.22 -0.925 . . . . 0.0 109.711 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.4 t70 61.81 -69.45 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.735 -0.603 . . . . 0.0 110.058 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.732 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 38.4 p90 -75.75 -51.71 12.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.414 -0.804 . . . . 0.0 112.128 -179.362 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.0 m95 -18.99 -53.17 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 121.717 0.77 . . . . 0.0 111.245 -179.455 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -41.99 -51.75 4.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.775 -0.578 . . . . 0.0 110.735 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.22 -0.4 57.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.086 -1.009 . . . . 0.0 111.15 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.732 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -120.08 57.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.914 -1.116 . . . . 0.0 110.158 -179.341 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 27.0 mmmt -107.81 -146.47 0.4 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.202 -0.936 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -43.74 -26.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.126 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' LYS . 14.9 tp -62.78 -53.98 46.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 110.205 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.48 40.83 1.22 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.931 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.065 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.6 mt -46.58 -82.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.806 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 48.5 t0 62.23 -69.11 0.06 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.372 0.606 . . . . 0.0 110.068 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.744 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 40.9 p90 -75.74 -53.68 8.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 112.003 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.065 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.8 m95 -16.75 -55.84 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 121.871 0.843 . . . . 0.0 111.316 -179.551 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.3 tp -38.85 -51.97 1.74 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.771 -0.581 . . . . 0.0 111.011 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.22 3.61 53.01 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.034 -1.041 . . . . 0.0 111.188 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.744 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -121.12 30.12 6.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.923 -1.111 . . . . 0.0 110.157 -179.323 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 5.0 mtpt -94.55 -144.97 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 110.205 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.53 59.13 2.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.89 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -113.13 -37.01 4.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.167 -0.958 . . . . 0.0 110.22 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 77.45 1.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.242 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.077 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -53.92 -81.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.149 -0.969 . . . . 0.0 109.506 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 36.7 t0 61.01 -70.05 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.419 0.628 . . . . 0.0 110.076 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.746 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 35.2 p90 -75.93 -51.48 12.36 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 111.984 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.077 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.3 m95 -19.71 -53.09 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.862 0.839 . . . . 0.0 111.133 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 38.9 tp -44.97 -50.08 10.79 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.109 0.48 . . . . 0.0 111.044 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.3 -0.85 57.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.101 -0.999 . . . . 0.0 111.31 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.746 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -118.2 -75.4 0.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.941 -1.099 . . . . 0.0 110.713 -178.879 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 21.1 mttt 54.5 166.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.04 . . . . 0.0 110.094 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.34 91.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.221 -0.924 . . . . 0.0 110.193 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -123.91 114.73 20.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.154 -0.966 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.19 65.92 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.038 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.49 -80.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.139 -0.976 . . . . 0.0 109.589 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.853 ' N ' HG22 ' A' ' 1' ' ' ILE . 28.7 m-20 60.94 -70.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.335 0.588 . . . . 0.0 110.203 -179.295 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.727 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 44.0 p90 -75.78 -52.79 9.64 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 111.792 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.038 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.3 m95 -17.39 -54.45 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.721 0.772 . . . . 0.0 111.308 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.4 tp -37.37 -53.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.785 -0.572 . . . . 0.0 110.879 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.47 6.13 44.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.022 -1.049 . . . . 0.0 111.304 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.727 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -122.27 -33.26 3.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.972 -1.08 . . . . 0.0 110.48 -179.129 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -88.68 24.96 1.85 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.101 -1.0 . . . . 0.0 110.202 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.15 -12.33 38.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.376 -0.827 . . . . 0.0 109.967 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.4 tm? -118.5 -36.33 3.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.0 110.134 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.0 143.69 30.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.177 -0.952 . . . . 0.0 110.162 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.787 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.099 HG23 ' HB2' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -44.78 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 . . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.858 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.0 OUTLIER 60.71 -71.41 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.402 0.62 . . . . 0.0 110.248 -179.295 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 45.2 p90 -75.92 -45.68 33.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 112.323 -179.024 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.099 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.8 m95 -26.92 -44.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 121.505 0.669 . . . . 0.0 110.7 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.0 tp -36.81 -51.33 0.89 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.273 0.559 . . . . 0.0 109.927 179.689 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 8' ' ' LYS . . . -90.3 -133.02 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.417 178.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.796 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER 37.07 -87.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.468 -0.77 . . . . 0.0 111.139 179.56 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER 47.43 -131.35 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.407 -1.433 . . . . 0.0 110.18 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -39.83 -26.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.277 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 7' ' ' HIS . 3.2 mm? -42.15 -59.15 1.87 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.037 -1.039 . . . . 0.0 110.315 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.33 54.47 8.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.319 -0.863 . . . . 0.0 110.178 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.727 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.031 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mt -45.31 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.079 -1.013 . . . . 0.0 109.735 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.868 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.8 m-20 62.1 -69.25 0.06 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.702 -0.624 . . . . 0.0 110.135 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 44.9 p90 -75.85 -53.98 7.62 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 111.941 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.031 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.9 m95 -16.24 -53.75 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.703 0.764 . . . . 0.0 111.662 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.5 tp -36.01 -50.91 0.71 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.81 -0.556 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.43 15.28 10.97 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 111.251 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.721 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -127.0 -31.52 2.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.951 -1.093 . . . . 0.0 110.073 -179.425 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 8.0 ptmt -87.95 19.65 3.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.32 -25.26 20.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.462 -0.774 . . . . 0.0 109.781 179.618 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -95.86 -1.17 49.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 0.0 110.161 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 66.03 126.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.0 110.225 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.672 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.2 mp -44.54 -77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 8.8 m-20 59.55 -70.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.886 -0.509 . . . . 0.0 110.363 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.14 -54.7 6.68 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.954 -179.644 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.032 ' HB2' HG23 ' A' ' 1' ' ' ILE . 46.2 m95 -18.7 -50.49 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 CA-C-O 121.722 0.772 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.839 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.08 -47.57 0.38 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 179.577 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.87 22.22 3.73 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.043 -1.036 . . . . 0.0 112.006 -179.534 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -133.9 -52.32 0.85 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.634 -1.291 . . . . 0.0 109.794 -179.874 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 7' ' ' HIS . 3.9 ptmt -54.8 -162.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.29 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.907 . . . . 0.0 110.31 -179.896 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 tp 56.78 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.331 179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.33 118.29 9.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.415 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.094 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.53 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.128 -0.982 . . . . 0.0 109.459 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.7 OUTLIER 60.74 -70.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.85 -0.531 . . . . 0.0 110.333 -179.514 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 53.4 p90 -75.58 -55.47 5.63 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.231 -0.918 . . . . 0.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.094 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -15.24 -55.33 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 121.64 0.733 . . . . 0.0 111.887 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.2 tp -36.96 -44.75 0.52 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.834 -0.541 . . . . 0.0 111.389 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.44 24.31 2.65 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.962 -1.086 . . . . 0.0 111.726 -179.059 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -134.02 -135.4 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.747 -1.221 . . . . 0.0 109.788 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' LEU . 19.9 mttt 63.61 178.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 77.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.049 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -124.4 -62.84 1.23 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 110.17 -179.744 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 60.46 135.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.0 110.474 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.045 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -45.92 -81.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.104 -0.998 . . . . 0.0 109.657 . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.873 ' N ' HG22 ' A' ' 1' ' ' ILE . 47.9 t0 61.61 -69.9 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.66 -0.65 . . . . 0.0 110.042 -179.273 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 42.0 p90 -75.77 -53.85 7.86 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 111.885 -179.401 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.045 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.6 m95 -16.24 -55.96 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.704 0.764 . . . . 0.0 111.423 -179.61 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.9 tp -37.12 -52.45 1.0 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.866 -0.521 . . . . 0.0 111.071 179.812 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.28 7.74 36.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.982 -1.074 . . . . 0.0 111.228 -179.321 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.738 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -121.67 -117.24 0.3 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 110.209 -179.138 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 2.3 mmmt 62.86 -142.94 0.38 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.952 -1.093 . . . . 0.0 109.945 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.21 -10.53 55.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.461 -0.774 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -95.27 165.06 12.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.903 . . . . 0.0 110.226 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 175.5 -175.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.086 HG23 ' HB2' ' A' ' 4' ' ' TRP . 2.2 mt -48.71 -84.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.147 -0.971 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.878 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.63 -67.73 0.08 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.725 -0.609 . . . . 0.0 110.048 -179.106 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.743 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 29.2 p90 -75.9 -52.12 11.0 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.435 -0.791 . . . . 0.0 112.177 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.086 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.4 m95 -19.24 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.74 0.781 . . . . 0.0 111.561 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.3 tp -47.23 -49.05 23.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.769 -0.582 . . . . 0.0 111.704 -179.554 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -89.25 5.95 42.49 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 111.421 -178.746 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.743 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 1.4 m80 -119.15 -107.28 0.37 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.028 -1.045 . . . . 0.0 110.46 -178.802 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER 58.66 -143.36 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.821 -1.174 . . . . 0.0 109.962 -179.711 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -90.07 148.48 23.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.435 -0.791 . . . . 0.0 110.206 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -177.47 39.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.217 179.908 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.55 -155.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.738 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.027 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -46.64 -78.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.852 ' N ' HG22 ' A' ' 1' ' ' ILE . 18.2 t70 59.35 -70.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 0.0 110.26 -179.226 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.74 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 43.5 p90 -75.68 -51.93 11.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 111.943 -179.439 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.027 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.9 m95 -18.19 -54.23 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 CA-C-O 121.764 0.792 . . . . 0.0 111.197 -179.533 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -39.6 -52.78 2.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.809 -0.557 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.41 0.5 57.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.078 -1.014 . . . . 0.0 111.11 -179.555 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.74 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -120.27 59.89 0.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.019 -1.051 . . . . 0.0 110.163 -179.343 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -116.01 -159.7 0.73 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 62.92 0.35 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.205 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -146.35 78.41 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 0.0 110.245 179.898 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 65.79 152.36 0.06 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.063 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.8 mt -45.49 -83.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.803 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.847 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.58 -68.82 0.07 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 -179.24 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.737 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 43.7 p90 -75.73 -54.11 7.46 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.311 -0.868 . . . . 0.0 112.045 -179.301 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.063 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.6 m95 -16.27 -54.62 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.713 0.768 . . . . 0.0 111.575 -179.521 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.5 tp -36.45 -50.71 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.891 -0.505 . . . . 0.0 111.282 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.4 12.22 19.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.981 -1.074 . . . . 0.0 111.177 -179.429 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.737 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -124.55 -146.21 0.35 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.991 -1.068 . . . . 0.0 110.098 -179.178 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.7 mmpt? 57.9 -140.44 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 121.42 15.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.376 -0.828 . . . . 0.0 109.793 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -166.13 175.68 8.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.405 -179.73 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.07 127.12 39.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.153 -0.967 . . . . 0.0 110.226 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.093 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -44.75 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.222 -0.924 . . . . 0.0 109.565 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.37 -70.55 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.272 0.558 . . . . 0.0 110.047 -179.38 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.73 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 51.7 p90 -75.66 -55.6 5.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 111.728 -179.453 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.093 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.5 m95 -14.9 -56.19 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.674 0 CA-C-O 121.754 0.788 . . . . 0.0 111.744 -179.567 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 10' ' ' LEU . 9.3 tp -35.9 -47.66 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.888 -0.508 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.43 19.3 5.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.947 -1.096 . . . . 0.0 111.558 -179.342 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.73 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -129.84 -39.98 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.876 -1.14 . . . . 0.0 109.961 -179.701 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.4 ptpt -64.02 -144.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.121 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.41 -50.88 5.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -47.15 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.263 179.956 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -118.12 63.35 0.76 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.918 . . . . 0.0 110.19 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.8 mt -45.91 -84.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.877 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.1 m-20 62.72 -68.37 0.07 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.653 -0.654 . . . . 0.0 109.97 -179.086 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.739 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 39.9 p90 -75.86 -54.71 6.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.368 -0.832 . . . . 0.0 112.0 -179.462 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.0 m95 -15.77 -56.07 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.707 0.765 . . . . 0.0 111.636 -179.493 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.5 tp -36.82 -51.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.929 -0.482 . . . . 0.0 111.327 -179.817 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.18 11.57 20.63 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.987 -179.298 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.739 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -122.85 -116.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.126 -0.984 . . . . 0.0 110.181 -179.229 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' LEU . 12.7 mttt 59.73 161.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.911 -1.118 . . . . 0.0 110.285 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.93 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.27 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . 1.3 tt -134.73 109.03 8.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.888 . . . . 0.0 110.176 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.9 -166.11 2.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.24 -0.913 . . . . 0.0 110.334 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.722 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.034 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -47.71 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.194 -0.941 . . . . 0.0 109.678 . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.859 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 61.45 -70.26 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.405 0.621 . . . . 0.0 110.014 -179.275 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 43.3 p90 -75.7 -53.54 8.38 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.302 -0.874 . . . . 0.0 111.92 -179.358 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.034 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.0 m95 -16.58 -55.17 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 CA-C-O 121.687 0.755 . . . . 0.0 111.447 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.6 tp -36.86 -52.38 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.937 -0.477 . . . . 0.0 110.987 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.29 8.0 35.53 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.149 -0.969 . . . . 0.0 111.094 -179.312 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.738 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -122.47 7.52 9.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.96 -1.087 . . . . 0.0 110.262 -179.168 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 3.1 mtmt -87.71 -159.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 0.0 110.135 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.41 104.93 0.2 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.117 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -177.42 126.46 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.95 -170.1 2.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.028 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -49.51 -80.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.2 m-20 59.77 -68.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.09 0.472 . . . . 0.0 110.345 -179.064 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.717 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 45.1 p90 -75.69 -55.17 5.91 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.261 -0.899 . . . . 0.0 111.686 -179.455 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 1.028 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.7 m95 -15.44 -56.02 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 121.845 0.831 . . . . 0.0 111.495 -179.683 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 19.3 tp -35.1 -50.84 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.963 -0.46 . . . . 0.0 111.526 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.47 17.01 7.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.97 -1.081 . . . . 0.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.717 ' CE1' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -126.52 -72.83 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.848 -1.157 . . . . 0.0 110.418 -179.357 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' HIS . 12.6 mmtp 43.68 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.13 -0.981 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 54.86 2.95 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.552 -0.718 . . . . 0.0 110.184 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -112.08 171.03 7.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.286 -0.884 . . . . 0.0 110.512 -179.864 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 58.28 178.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.044 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -46.5 -80.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.181 -0.95 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.862 ' N ' HG22 ' A' ' 1' ' ' ILE . 5.7 t0 61.05 -70.1 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.837 -0.54 . . . . 0.0 110.095 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.711 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.5 p90 -75.88 -53.17 8.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.375 -0.828 . . . . 0.0 111.895 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.044 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.9 m95 -16.87 -54.61 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.372 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -36.59 -53.73 0.88 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.946 -0.471 . . . . 0.0 110.888 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.48 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 6.77 41.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.128 -0.982 . . . . 0.0 111.105 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.643 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.91 -64.47 1.18 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.028 -1.045 . . . . 0.0 110.311 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.4 mmmm 58.98 148.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.27 -0.894 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' ' 10' ' ' LEU . . . -60.98 -26.69 67.74 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.152 -0.968 . . . . 0.0 110.128 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.3 OUTLIER 34.48 -156.04 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.241 0.543 . . . . 0.0 111.17 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 170.05 42.44 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.172 -0.955 . . . . 0.0 110.244 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.771 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.069 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.5 mt -47.35 -82.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.154 -0.966 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 24.5 t0 62.2 -69.12 0.06 Allowed 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.344 0.592 . . . . 0.0 110.131 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 42.3 p90 -75.85 -53.57 8.24 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.357 -0.84 . . . . 0.0 111.992 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.069 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.9 m95 -16.69 -55.11 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.713 0 CA-C-O 121.709 0.766 . . . . 0.0 111.455 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.9 tp -36.79 -52.34 0.91 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.903 -0.498 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.31 7.3 39.13 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.11 -0.994 . . . . 0.0 111.085 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.65 26.99 8.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.073 -1.017 . . . . 0.0 110.203 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -111.57 -148.07 0.43 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.224 -0.923 . . . . 0.0 110.168 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -44.38 -25.88 0.29 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -56.39 -29.95 62.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.224 -0.923 . . . . 0.0 110.191 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.92 56.49 0.96 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.222 -0.924 . . . . 0.0 110.245 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.714 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.058 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -52.07 -81.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.667 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.884 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 59.72 -68.46 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.195 0.522 . . . . 0.0 110.327 -179.162 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 37.6 p90 -75.17 -52.2 11.54 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.161 -0.962 . . . . 0.0 111.149 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.058 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.0 m95 -22.29 -50.38 0.02 OUTLIER 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 122.018 0.914 . . . . 0.0 110.152 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -38.0 -52.22 1.38 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.683 179.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.45 1.9 56.2 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 111.251 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.66 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.9 m170 -117.9 -49.46 2.52 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.972 -1.08 . . . . 0.0 110.538 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 6.4 mmpt? 43.03 -141.89 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.093 -1.004 . . . . 0.0 110.046 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 10' ' ' LEU . . . -47.88 -31.78 5.48 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 10' ' ' LEU . 3.6 tt 56.25 112.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.353 -0.842 . . . . 0.0 110.226 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.71 -165.55 1.17 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.907 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.051 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mt -45.08 -81.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.236 -0.915 . . . . 0.0 109.713 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.873 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER 62.32 -69.52 0.06 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.713 -0.617 . . . . 0.0 110.247 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.9 p90 -75.82 -55.72 5.37 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.234 -0.916 . . . . 0.0 111.824 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.051 ' HB2' HG23 ' A' ' 1' ' ' ILE . 39.9 m95 -14.34 -56.52 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.599 0 CA-C-O 121.568 0.699 . . . . 0.0 111.734 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.7 tp -33.74 -50.37 0.35 Allowed 'General case' 0 N--CA 1.491 1.604 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.552 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.51 22.85 3.24 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 111.84 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.4 m-70 -129.04 -137.94 0.23 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.652 -1.28 . . . . 0.0 110.199 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 6.8 mttt 67.37 -143.64 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.181 -0.949 . . . . 0.0 109.921 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' LYS . . . -55.33 -164.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.428 -0.795 . . . . 0.0 110.207 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.6 OUTLIER 54.95 102.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.22 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.8 61.31 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.169 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.107 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -44.67 -80.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.21 -0.931 . . . . 0.0 109.662 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 7.6 t0 61.91 -69.57 0.05 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.709 -0.62 . . . . 0.0 110.114 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.677 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 52.8 p90 -75.73 -56.12 4.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 111.668 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.107 ' HB2' HG23 ' A' ' 1' ' ' ILE . 42.8 m95 -15.41 -55.35 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.623 0 CA-C-O 121.714 0.769 . . . . 0.0 111.754 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.0 tp -36.57 -44.19 0.44 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.94 -0.475 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.5 21.81 3.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.918 -1.114 . . . . 0.0 111.615 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.9 OUTLIER -133.39 -68.84 0.56 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.694 -1.254 . . . . 0.0 109.907 -179.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 7' ' ' HIS . 14.9 mmtp 50.85 175.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.89 17.19 3.58 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.416 -0.803 . . . . 0.0 110.133 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD13 ' N ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -58.61 125.55 23.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.264 -0.897 . . . . 0.0 110.203 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -177.2 155.68 1.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.0 110.12 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.725 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.063 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.6 mt -47.02 -82.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.176 -0.952 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 33.2 t0 62.07 -68.85 0.06 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.704 -0.623 . . . . 0.0 110.117 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 41.9 p90 -75.93 -53.91 7.69 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.319 -0.863 . . . . 0.0 111.954 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.063 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.2 m95 -16.49 -55.67 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.664 0 CA-C-O 121.655 0.741 . . . . 0.0 111.402 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -37.14 -51.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.843 -0.536 . . . . 0.0 111.115 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.488 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.24 7.15 39.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.947 -1.096 . . . . 0.0 111.04 -179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -122.25 5.59 9.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.035 -1.04 . . . . 0.0 110.2 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' LEU . 1.1 mmmp? -104.45 -155.19 0.53 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.305 -0.872 . . . . 0.0 110.116 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.51 94.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 110.222 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -167.79 108.7 0.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 110.241 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.89 155.33 19.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.214 -0.929 . . . . 0.0 110.24 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.43 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 8.6 mm -42.91 -89.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.802 ' N ' HG22 ' A' ' 1' ' ' ILE . 4.2 m-20 64.01 -70.38 0.07 Allowed 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.719 -0.613 . . . . 0.0 110.197 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.692 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 50.9 p90 -76.04 -54.64 6.54 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.163 -0.96 . . . . 0.0 112.002 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 42.0 m95 -15.15 -54.46 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.69 0 CA-C-O 121.567 0.698 . . . . 0.0 111.844 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.4 tp -34.38 -51.58 0.46 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.98 -0.45 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.548 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.57 20.08 4.87 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.901 -1.124 . . . . 0.0 111.523 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.663 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.1 m-70 -128.56 -137.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.821 -1.174 . . . . 0.0 110.112 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' LEU . 25.7 mtpt 64.77 173.36 0.2 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 110.16 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -40.52 -27.78 0.06 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.468 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -81.07 52.93 1.88 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.165 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.62 115.22 1.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -44.98 -81.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.169 -0.957 . . . . 0.0 109.673 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.86 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER 61.42 -70.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.705 -0.622 . . . . 0.0 110.015 -179.294 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.3 p90 -75.7 -54.45 6.94 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.308 -0.87 . . . . 0.0 111.861 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.5 m95 -15.65 -54.64 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 CA-C-O 121.692 0.758 . . . . 0.0 111.717 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.0 tp -35.62 -51.78 0.66 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.898 -0.501 . . . . 0.0 111.2 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.536 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.53 15.29 11.1 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.914 -1.116 . . . . 0.0 111.328 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -126.22 17.9 7.71 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.924 -1.11 . . . . 0.0 110.341 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 45.4 mtpt -87.91 18.49 4.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.145 -0.972 . . . . 0.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.42 -59.7 2.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.529 -0.732 . . . . 0.0 110.095 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -48.43 -63.44 1.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.388 -0.82 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.12 82.35 0.33 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.039 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -48.21 -81.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 15.5 t0 60.99 -69.66 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.762 -0.586 . . . . 0.0 110.148 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.719 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 38.9 p90 -75.84 -53.4 8.52 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.343 -0.848 . . . . 0.0 111.943 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.039 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.2 m95 -16.69 -57.86 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.633 0 CA-C-O 121.851 0.834 . . . . 0.0 111.265 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' TYR . 14.0 tp -41.02 -49.87 3.33 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.899 -0.501 . . . . 0.0 111.098 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' TYR . . . -90.25 0.41 57.23 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.056 -1.027 . . . . 0.0 111.452 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 3.6 m-70 -119.24 -70.67 0.78 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.976 -1.078 . . . . 0.0 110.623 -178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 7.1 mttm 43.59 -142.71 0.14 Allowed 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.167 -0.958 . . . . 0.0 109.981 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.41 -51.47 10.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 0.0 110.129 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -48.54 133.36 16.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.0 110.162 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 173.59 93.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 110.184 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.086 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -44.95 -80.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.173 -0.954 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 20.9 m-20 61.86 -69.96 0.05 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.742 -0.599 . . . . 0.0 110.128 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.8 p90 -75.74 -55.36 5.72 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.224 -0.922 . . . . 0.0 111.831 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.086 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.7 m95 -15.18 -55.55 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.528 0.68 . . . . 0.0 111.678 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.8 tp -35.37 -48.55 0.48 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.963 -0.46 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.548 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.38 19.81 4.93 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.969 -1.082 . . . . 0.0 111.662 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.67 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.5 m-70 -130.47 -142.79 0.24 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.814 -1.179 . . . . 0.0 109.893 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 3.1 mtmt 62.59 172.72 0.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 10' ' ' LEU . . . -42.09 144.31 0.48 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.425 -0.797 . . . . 0.0 110.149 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.4 tm? -177.63 115.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.328 -0.858 . . . . 0.0 110.178 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 10' ' ' LEU . . . -156.17 179.21 9.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.232 -0.918 . . . . 0.0 110.182 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.88 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.775 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.05 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.5 mt -46.44 -82.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.136 -0.978 . . . . 0.0 109.76 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.867 ' N ' HG22 ' A' ' 1' ' ' ILE . 25.6 t0 62.07 -69.23 0.06 Allowed 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.355 0.597 . . . . 0.0 110.05 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.724 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 40.4 p90 -75.82 -53.1 9.0 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 111.957 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.05 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.7 m95 -17.38 -55.22 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.673 0 CA-C-O 121.76 0.79 . . . . 0.0 111.223 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -39.44 -52.62 2.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.841 -0.537 . . . . 0.0 110.738 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.24 1.25 56.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.063 -1.023 . . . . 0.0 111.113 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.643 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.2 m-70 -120.89 -1.14 9.95 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.007 -1.058 . . . . 0.0 110.128 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -63.9 -163.89 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.205 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 105.33 4.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.919 . . . . 0.0 110.18 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.75 -177.48 5.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.38 45.27 27.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 110.202 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 2.3 mt -51.57 -84.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.219 -0.925 . . . . 0.0 109.839 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.881 ' N ' HG22 ' A' ' 1' ' ' ILE . 33.9 t0 62.3 -67.25 0.07 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.439 0.638 . . . . 0.0 110.047 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.734 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 25.7 p90 -75.9 -52.74 9.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.361 -0.837 . . . . 0.0 111.962 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.4 m95 -19.48 -53.89 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.609 0 CA-C-O 121.73 0.776 . . . . 0.0 111.283 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -47.74 -51.34 22.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.74 -0.6 . . . . 0.0 111.214 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -83.06 -1.21 52.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.945 -1.097 . . . . 0.0 111.093 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 3.3 m-70 -117.94 -72.72 0.67 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 110.297 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER 41.56 -158.73 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.228 -0.92 . . . . 0.0 110.207 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -86.8 -59.21 2.33 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.551 -0.718 . . . . 0.0 110.163 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.593 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 43.5 tp 55.75 -88.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.212 -0.93 . . . . 0.0 110.277 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 62.18 143.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.283 -0.885 . . . . 0.0 110.181 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.07 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -55.64 -81.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.133 -0.979 . . . . 0.0 109.653 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.887 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.4 OUTLIER 59.63 -68.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.305 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.737 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 25.6 p90 -75.44 -48.33 23.25 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.07 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.9 m95 -27.38 -44.06 0.02 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 CA-C-O 122.18 0.991 . . . . 0.0 109.915 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -51.45 -50.3 60.04 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.854 179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 -2.21 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.259 -0.901 . . . . 0.0 111.527 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.633 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 3.5 m-70 -115.57 -138.81 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.952 -1.092 . . . . 0.0 110.657 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER 64.5 171.13 0.19 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.0 109.933 -179.391 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -42.53 -26.94 0.13 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.425 -0.797 . . . . 0.0 110.138 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 10' ' ' LEU . 8.4 tt -47.0 -43.89 19.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.89 . . . . 0.0 110.188 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.58 101.36 4.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.263 -0.898 . . . . 0.0 110.166 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.074 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -44.86 -80.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.182 -0.949 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 64.2 t0 60.92 -70.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.357 0.598 . . . . 0.0 110.092 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 46.3 p90 -75.64 -53.32 8.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.277 -0.889 . . . . 0.0 111.835 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.074 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.1 m95 -16.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.566 0.698 . . . . 0.0 111.569 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.3 tp -36.35 -51.4 0.79 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.903 -0.498 . . . . 0.0 111.059 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.513 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 12.55 18.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.997 -1.064 . . . . 0.0 111.206 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.0 m-70 -124.66 -13.5 6.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.023 -1.048 . . . . 0.0 110.261 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' LEU . 12.0 ptpt -95.43 -164.88 1.21 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.77 80.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.292 -0.88 . . . . 0.0 110.297 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -108.59 -58.02 2.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.266 -0.897 . . . . 0.0 110.167 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.47 53.44 0.79 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.221 -0.924 . . . . 0.0 110.188 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.127 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -48.33 -79.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.857 ' N ' HG22 ' A' ' 1' ' ' ILE . 31.8 t0 60.19 -71.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.434 0.635 . . . . 0.0 110.271 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 35.5 p90 -75.89 -42.5 48.94 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 112.423 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.127 ' HB2' HG23 ' A' ' 1' ' ' ILE . 41.3 m95 -30.57 -39.28 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.46 0 O-C-N 121.498 -0.751 . . . . 0.0 110.403 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -37.45 -55.24 1.08 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.33 -129.72 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.617 ' CD2' ' HB3' ' A' ' 6' ' ' ALA . 2.3 m-70 40.57 -118.3 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.083 -1.01 . . . . 0.0 110.113 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 2.7 mmmp? 57.66 -163.39 0.19 Allowed 'General case' 0 N--CA 1.484 1.273 0 O-C-N 120.904 -1.123 . . . . 0.0 110.334 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -41.45 -41.52 2.07 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.557 -0.714 . . . . 0.0 110.262 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.99 86.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.81 -178.45 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.285 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.665 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.062 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.61 -78.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.06 -1.025 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.865 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.3 m-20 60.4 -71.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.326 0.584 . . . . 0.0 110.167 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 47.8 p90 -75.63 -53.41 8.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.337 -0.852 . . . . 0.0 111.721 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.062 ' HB2' HG23 ' A' ' 1' ' ' ILE . 39.9 m95 -17.37 -53.42 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.756 0 CA-C-O 121.71 0.767 . . . . 0.0 111.62 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.8 tp -36.67 -48.99 0.74 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.968 -0.457 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.67 11.35 22.43 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.021 -1.049 . . . . 0.0 111.422 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.666 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.3 m-70 -125.25 -144.52 0.32 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.936 -1.103 . . . . 0.0 109.976 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' HD2' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER 41.03 -140.68 0.09 Allowed 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.398 -0.814 . . . . 0.0 110.198 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.49 134.66 46.23 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.489 -0.757 . . . . 0.0 110.145 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.21 -58.09 0.06 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 0.0 110.184 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.58 -168.07 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.0 110.188 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.046 HG23 ' HB2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -45.31 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.194 -0.941 . . . . 0.0 109.57 . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 60.2 t0 60.08 -71.37 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.362 0.601 . . . . 0.0 110.32 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.69 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 46.6 p90 -75.62 -44.45 42.8 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.941 . . . . 0.0 112.06 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.046 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -29.99 -39.71 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 121.598 -0.689 . . . . 0.0 110.238 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.5 tp -35.08 -51.39 0.54 Allowed 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.36 0.6 . . . . 0.0 109.703 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.563 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 -128.5 0.08 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.588 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.7 OUTLIER 36.14 -127.83 0.13 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.346 -0.846 . . . . 0.0 110.14 178.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' LEU . 17.7 mmtt 59.7 166.09 0.06 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.017 -1.052 . . . . 0.0 110.372 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 68.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.295 -0.878 . . . . 0.0 110.137 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -103.71 7.61 37.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.202 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.57 130.62 9.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.0 110.208 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.077 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -46.3 -80.84 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.187 -0.945 . . . . 0.0 109.558 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.7 t0 61.24 -70.52 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.335 0.588 . . . . 0.0 110.036 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.9 p90 -75.71 -53.41 8.58 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 111.89 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.077 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.1 m95 -16.73 -55.06 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.721 0 CA-C-O 121.685 0.755 . . . . 0.0 111.519 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.7 tp -36.47 -52.61 0.85 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.876 -0.515 . . . . 0.0 111.026 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.494 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.25 8.04 35.21 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.06 -1.025 . . . . 0.0 111.102 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.642 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.5 m-70 -121.62 -117.56 0.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.992 -1.067 . . . . 0.0 110.159 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.8 OUTLIER 66.07 -143.02 0.18 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.866 -1.146 . . . . 0.0 109.93 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -27.69 62.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.455 -0.778 . . . . 0.0 110.204 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.1 mt -79.21 -24.2 43.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.267 -0.896 . . . . 0.0 110.207 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 62.5 108.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.0 110.211 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . 0.413 ' N ' ' HA ' ' A' ' 7' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.047 HG23 ' HB2' ' A' ' 4' ' ' TRP . 8.4 mm -43.23 -89.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.799 ' N ' HG22 ' A' ' 1' ' ' ILE . 3.4 t0 64.36 -70.36 0.08 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.688 -0.632 . . . . 0.0 110.112 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.664 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 52.8 p90 -75.87 -55.98 5.1 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.955 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.047 ' HB2' HG23 ' A' ' 1' ' ' ILE . 45.8 m95 -14.84 -55.8 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.557 0.694 . . . . 0.0 111.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tp -35.74 -45.03 0.36 Allowed 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 120.995 0.426 . . . . 0.0 111.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.61 21.86 3.79 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.991 -1.068 . . . . 0.0 111.724 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.669 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.9 OUTLIER -133.09 -28.77 1.5 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.731 -1.23 . . . . 0.0 110.411 -179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 7' ' ' HIS . 44.5 mtpt -55.29 -163.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.181 -0.95 . . . . 0.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.33 59.47 0.08 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 110.16 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.646 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -105.45 4.93 31.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.357 -0.839 . . . . 0.0 110.229 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 173.01 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.293 -0.879 . . . . 0.0 110.176 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.763 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.105 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.38 -79.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.125 -0.985 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.2 m-20 61.04 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.73 -0.606 . . . . 0.0 110.203 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 49.9 p90 -75.79 -54.18 7.33 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 111.786 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.105 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.1 m95 -15.82 -54.18 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.724 0 CA-C-O 121.71 0.766 . . . . 0.0 111.757 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.47 -50.52 0.59 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.843 -0.536 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 18.57 6.02 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.983 -1.073 . . . . 0.0 111.453 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.667 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.0 m-70 -127.81 -147.49 0.35 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.864 -1.148 . . . . 0.0 110.096 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HD3' ' CE3' ' A' ' 4' ' ' TRP . 8.8 mmmt 64.9 8.85 4.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.451 -0.781 . . . . 0.0 110.347 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.04 -38.72 12.62 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.518 -0.739 . . . . 0.0 109.439 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -91.04 -24.74 19.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.622 -0.674 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.17 176.9 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.187 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.079 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.9 -78.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.151 -0.968 . . . . 0.0 109.421 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.854 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.4 m-20 60.67 -71.68 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.752 -0.592 . . . . 0.0 110.211 -179.314 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.56 -54.78 6.45 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.287 -0.883 . . . . 0.0 111.691 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.079 ' HB2' HG23 ' A' ' 1' ' ' ILE . 43.9 m95 -15.76 -53.88 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.675 0 CA-C-O 121.564 0.697 . . . . 0.0 111.791 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TYR . 6.2 tp -36.41 -44.17 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.901 -0.499 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.558 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.66 18.09 6.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.048 -1.032 . . . . 0.0 111.588 -179.333 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.686 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -139.25 60.49 1.58 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.79 -1.194 . . . . 0.0 109.786 -179.571 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' O ' HD23 ' A' ' 10' ' ' LEU . 5.1 mmtp -107.4 -158.08 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 110.302 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.63 107.97 1.29 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -161.96 171.08 18.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.299 -0.876 . . . . 0.0 110.237 -179.789 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 10' ' ' LEU . . . 55.83 -166.04 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.21 -0.931 . . . . 0.0 110.197 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.057 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -45.62 -81.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.199 -0.938 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 18.5 t0 62.03 -69.32 0.06 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.642 -0.662 . . . . 0.0 110.163 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.5 p90 -75.76 -56.35 4.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.188 -0.945 . . . . 0.0 111.759 -179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.057 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.4 m95 -13.95 -57.53 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.673 0.749 . . . . 0.0 111.722 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.6 tp -35.04 -47.17 0.36 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.976 -0.453 . . . . 0.0 111.47 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.66 23.58 3.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.921 -1.112 . . . . 0.0 111.915 -178.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.65 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.6 m-70 -131.35 -71.34 0.57 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.668 -1.27 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' HIS . 8.3 mmtt 43.04 -141.75 0.14 Allowed 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.197 -0.939 . . . . 0.0 110.037 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.48 36.54 0.79 Allowed 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.368 -0.832 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.27 168.34 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.352 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.48 -156.17 0.52 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 110.196 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.423 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.2 mp -45.24 -78.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.154 -0.966 . . . . 0.0 109.469 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.86 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 60.57 -70.79 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.757 -0.589 . . . . 0.0 110.207 -179.416 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 52.5 p90 -75.45 -56.2 4.94 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.219 -0.925 . . . . 0.0 111.507 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -15.0 -56.15 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.755 0 CA-C-O 121.655 0.74 . . . . 0.0 111.808 -179.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -37.17 -42.84 0.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.817 -0.552 . . . . 0.0 110.855 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.52 20.72 4.37 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.882 -1.136 . . . . 0.0 111.561 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.677 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -135.67 -35.52 0.8 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.814 -1.179 . . . . 0.0 110.032 -179.639 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HE2' ' CZ3' ' A' ' 4' ' ' TRP . 17.2 mmtt -87.58 20.78 2.78 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.4 -67.65 0.83 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.416 -0.803 . . . . 0.0 109.979 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -66.54 83.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.62 109.51 0.73 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.252 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.92 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.682 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.083 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.24 -80.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.25 -70.6 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.8 -0.563 . . . . 0.0 110.076 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 48.8 p90 -75.68 -54.59 6.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 111.816 -179.444 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.083 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.9 m95 -15.4 -54.73 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.75 0 CA-C-O 121.673 0.749 . . . . 0.0 111.721 -179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.8 tp -35.05 -51.25 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.973 -0.454 . . . . 0.0 111.22 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.547 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.42 18.52 6.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.962 -1.086 . . . . 0.0 111.486 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.66 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -127.38 1.79 6.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.153 . . . . 0.0 110.222 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 18.4 mtpp -88.95 22.57 2.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.116 -0.99 . . . . 0.0 110.094 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.44 1.28 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.466 -0.771 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.7 tp -92.54 -52.7 4.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 110.186 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.39 52.32 0.88 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.254 -0.904 . . . . 0.0 110.177 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.766 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.029 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mt -46.24 -82.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.22 -0.925 . . . . 0.0 109.711 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.4 t70 61.81 -69.45 0.05 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.735 -0.603 . . . . 0.0 110.058 -179.171 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 38.4 p90 -75.75 -51.71 12.06 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.414 -0.804 . . . . 0.0 112.128 -179.362 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.029 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.0 m95 -18.99 -53.17 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 121.717 0.77 . . . . 0.0 111.245 -179.455 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.0 tp -41.99 -51.75 4.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.775 -0.578 . . . . 0.0 110.735 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.485 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.22 -0.4 57.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.086 -1.009 . . . . 0.0 111.15 -179.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.644 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.0 m-70 -120.08 57.59 0.93 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.914 -1.116 . . . . 0.0 110.158 -179.341 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 27.0 mmmt -107.81 -146.47 0.4 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.202 -0.936 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -43.74 -26.12 0.22 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.126 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' LYS . 14.9 tp -62.78 -53.98 46.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.2 -0.937 . . . . 0.0 110.205 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.48 40.83 1.22 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.3 -0.875 . . . . 0.0 110.188 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.931 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.065 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.6 mt -46.58 -82.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.806 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.869 ' N ' HG22 ' A' ' 1' ' ' ILE . 48.5 t0 62.23 -69.11 0.06 Allowed 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.372 0.606 . . . . 0.0 110.068 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.727 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 40.9 p90 -75.74 -53.68 8.13 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 112.003 -179.427 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.065 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.8 m95 -16.75 -55.84 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 121.871 0.843 . . . . 0.0 111.316 -179.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' TYR . 10.3 tp -38.85 -51.97 1.74 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.771 -0.581 . . . . 0.0 111.011 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.22 3.61 53.01 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.034 -1.041 . . . . 0.0 111.188 -179.182 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.652 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -121.12 30.12 6.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.923 -1.111 . . . . 0.0 110.157 -179.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 5.0 mtpt -94.55 -144.97 0.25 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.262 -0.899 . . . . 0.0 110.205 179.828 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.53 59.13 2.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.275 -0.89 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -113.13 -37.01 4.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.167 -0.958 . . . . 0.0 110.22 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 77.45 1.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.242 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.8 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.077 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -53.92 -81.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.149 -0.969 . . . . 0.0 109.506 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.861 ' N ' HG22 ' A' ' 1' ' ' ILE . 36.7 t0 61.01 -70.05 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.419 0.628 . . . . 0.0 110.076 -179.238 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.726 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 35.2 p90 -75.93 -51.48 12.36 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 111.984 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.077 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.3 m95 -19.71 -53.09 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.687 0 CA-C-O 121.862 0.839 . . . . 0.0 111.133 -179.518 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 38.9 tp -44.97 -50.08 10.79 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.109 0.48 . . . . 0.0 111.044 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.495 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.3 -0.85 57.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.101 -0.999 . . . . 0.0 111.31 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.629 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 3.4 m-70 -118.2 -75.4 0.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.941 -1.099 . . . . 0.0 110.713 -178.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 4' ' ' TRP . 21.1 mttt 54.5 166.39 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.037 -1.04 . . . . 0.0 110.094 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.34 91.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.221 -0.924 . . . . 0.0 110.193 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -123.91 114.73 20.2 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.154 -0.966 . . . . 0.0 110.369 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 50.19 65.92 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.219 -0.926 . . . . 0.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.861 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.764 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.038 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.49 -80.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.139 -0.976 . . . . 0.0 109.589 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.853 ' N ' HG22 ' A' ' 1' ' ' ILE . 28.7 m-20 60.94 -70.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.335 0.588 . . . . 0.0 110.203 -179.295 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.712 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.0 p90 -75.78 -52.79 9.64 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 111.792 -179.388 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.038 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.3 m95 -17.39 -54.45 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 121.721 0.772 . . . . 0.0 111.308 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.4 tp -37.37 -53.15 1.12 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.785 -0.572 . . . . 0.0 110.879 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.477 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.47 6.13 44.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.022 -1.049 . . . . 0.0 111.304 -179.401 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.648 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.2 m-70 -122.27 -33.26 3.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.972 -1.08 . . . . 0.0 110.48 -179.129 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -88.68 24.96 1.85 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.101 -1.0 . . . . 0.0 110.202 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.15 -12.33 38.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.376 -0.827 . . . . 0.0 109.967 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.84 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.4 tm? -118.5 -36.33 3.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.0 110.134 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.0 143.69 30.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.177 -0.952 . . . . 0.0 110.162 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.787 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.099 HG23 ' HB2' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -44.78 -79.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 . . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.858 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.0 OUTLIER 60.71 -71.41 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.402 0.62 . . . . 0.0 110.248 -179.295 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.704 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.2 p90 -75.92 -45.68 33.97 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 112.323 -179.024 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.099 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.8 m95 -26.92 -44.05 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 CA-C-O 121.505 0.669 . . . . 0.0 110.7 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.0 tp -36.81 -51.33 0.89 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.273 0.559 . . . . 0.0 109.927 179.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.584 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.3 -133.02 0.11 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -0.91 . . . . 0.0 109.417 178.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.796 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER 37.07 -87.71 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.468 -0.77 . . . . 0.0 111.139 179.56 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER 47.43 -131.35 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.407 -1.433 . . . . 0.0 110.18 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -39.83 -26.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.277 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 7' ' ' HIS . 3.2 mm? -42.15 -59.15 1.87 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.037 -1.039 . . . . 0.0 110.315 -179.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 46.33 54.47 8.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.319 -0.863 . . . . 0.0 110.178 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.422 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.727 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.031 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mt -45.31 -82.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.079 -1.013 . . . . 0.0 109.735 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.868 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.8 m-20 62.1 -69.25 0.06 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.702 -0.624 . . . . 0.0 110.135 -179.204 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 44.9 p90 -75.85 -53.98 7.62 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.226 -0.921 . . . . 0.0 111.941 -179.356 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.031 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.9 m95 -16.24 -53.75 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.703 0.764 . . . . 0.0 111.662 -179.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' TYR . 5.5 tp -36.01 -50.91 0.71 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.81 -0.556 . . . . 0.0 111.175 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 15.28 10.97 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.926 -1.109 . . . . 0.0 111.251 -179.419 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.661 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.8 m-70 -127.0 -31.52 2.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.951 -1.093 . . . . 0.0 110.073 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 4' ' ' TRP . 8.0 ptmt -87.95 19.65 3.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.187 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.32 -25.26 20.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.462 -0.774 . . . . 0.0 109.781 179.618 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -95.86 -1.17 49.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 0.0 110.161 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 66.03 126.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.0 110.225 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.419 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.672 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.032 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.2 mp -44.54 -77.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.215 -0.928 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 8.8 m-20 59.55 -70.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.886 -0.509 . . . . 0.0 110.363 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 54.5 p90 -75.14 -54.7 6.68 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.149 -1.02 . . . . 0.0 110.954 -179.644 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.032 ' HB2' HG23 ' A' ' 1' ' ' ILE . 46.2 m95 -18.7 -50.49 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 CA-C-O 121.722 0.772 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.839 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.08 -47.57 0.38 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 179.577 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.87 22.22 3.73 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.043 -1.036 . . . . 0.0 112.006 -179.534 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.678 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -133.9 -52.32 0.85 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.634 -1.291 . . . . 0.0 109.794 -179.874 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 7' ' ' HIS . 3.9 ptmt -54.8 -162.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.29 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.248 -0.907 . . . . 0.0 110.31 -179.896 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 tp 56.78 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.331 179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.33 118.29 9.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.415 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.216 -0.681 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.094 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -45.53 -79.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.128 -0.982 . . . . 0.0 109.459 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.866 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.7 OUTLIER 60.74 -70.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.85 -0.531 . . . . 0.0 110.333 -179.514 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CZ ' ' NE1' ' A' ' 4' ' ' TRP . 53.4 p90 -75.58 -55.47 5.63 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.231 -0.918 . . . . 0.0 111.574 -179.511 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.094 ' HB2' HG23 ' A' ' 1' ' ' ILE . 44.4 m95 -15.24 -55.33 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 121.64 0.733 . . . . 0.0 111.887 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.2 tp -36.96 -44.75 0.52 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.834 -0.541 . . . . 0.0 111.389 -179.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.44 24.31 2.65 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.962 -1.086 . . . . 0.0 111.726 -179.059 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.2 m-70 -134.02 -135.4 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.747 -1.221 . . . . 0.0 109.788 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' LEU . 19.9 mttt 63.61 178.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 77.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.531 -0.731 . . . . 0.0 110.049 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -124.4 -62.84 1.23 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 110.17 -179.744 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 60.46 135.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.29 -0.881 . . . . 0.0 110.474 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.414 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.741 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.045 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -45.92 -81.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 O-C-N 121.104 -0.998 . . . . 0.0 109.657 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.873 ' N ' HG22 ' A' ' 1' ' ' ILE . 47.9 t0 61.61 -69.9 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.66 -0.65 . . . . 0.0 110.042 -179.273 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 42.0 p90 -75.77 -53.85 7.86 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 111.885 -179.401 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.045 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.6 m95 -16.24 -55.96 0.01 OUTLIER 'General case' 0 N--CA 1.514 2.728 0 CA-C-O 121.704 0.764 . . . . 0.0 111.423 -179.61 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.9 tp -37.12 -52.45 1.0 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.866 -0.521 . . . . 0.0 111.071 179.812 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.28 7.74 36.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.982 -1.074 . . . . 0.0 111.228 -179.321 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.9 m-70 -121.67 -117.24 0.3 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.984 -1.073 . . . . 0.0 110.209 -179.138 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 2.3 mmmt 62.86 -142.94 0.38 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.952 -1.093 . . . . 0.0 109.945 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.21 -10.53 55.11 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.461 -0.774 . . . . 0.0 110.29 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -95.27 165.06 12.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.903 . . . . 0.0 110.226 -179.99 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . 175.5 -175.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 110.157 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.762 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.086 HG23 ' HB2' ' A' ' 4' ' ' TRP . 2.2 mt -48.71 -84.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.147 -0.971 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.878 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.63 -67.73 0.08 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.725 -0.609 . . . . 0.0 110.048 -179.106 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 29.2 p90 -75.9 -52.12 11.0 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.435 -0.791 . . . . 0.0 112.177 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.086 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.4 m95 -19.24 -51.82 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 121.74 0.781 . . . . 0.0 111.561 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 3' ' ' TYR . 13.3 tp -47.23 -49.05 23.99 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.769 -0.582 . . . . 0.0 111.704 -179.554 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -89.25 5.95 42.49 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.916 -1.115 . . . . 0.0 111.421 -178.746 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.641 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 4.9 m-70 -119.15 -107.28 0.37 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.028 -1.045 . . . . 0.0 110.46 -178.802 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER 58.66 -143.36 0.62 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.821 -1.174 . . . . 0.0 109.962 -179.711 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -90.07 148.48 23.01 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.435 -0.791 . . . . 0.0 110.206 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.669 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -177.47 39.16 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.217 179.908 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . 42.55 -155.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.738 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.027 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -46.64 -78.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.852 ' N ' HG22 ' A' ' 1' ' ' ILE . 18.2 t70 59.35 -70.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.305 0.574 . . . . 0.0 110.26 -179.226 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.5 p90 -75.68 -51.93 11.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.346 -0.846 . . . . 0.0 111.943 -179.439 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.027 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.9 m95 -18.19 -54.23 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.795 0 CA-C-O 121.764 0.792 . . . . 0.0 111.197 -179.533 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.8 tp -39.6 -52.78 2.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.809 -0.557 . . . . 0.0 110.634 179.636 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . . . -90.41 0.5 57.26 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.078 -1.014 . . . . 0.0 111.11 -179.555 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.637 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.2 m-70 -120.27 59.89 0.89 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.019 -1.051 . . . . 0.0 110.163 -179.343 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -116.01 -159.7 0.73 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 110.136 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.3 62.92 0.35 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.205 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.651 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -146.35 78.41 1.51 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.249 -0.907 . . . . 0.0 110.245 179.898 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 65.79 152.36 0.06 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.063 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.8 mt -45.49 -83.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.803 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.847 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 62.58 -68.82 0.07 Allowed 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 -179.24 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.7 p90 -75.73 -54.11 7.46 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.311 -0.868 . . . . 0.0 112.045 -179.301 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.063 ' HB2' HG23 ' A' ' 1' ' ' ILE . 36.6 m95 -16.27 -54.62 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.637 0 CA-C-O 121.713 0.768 . . . . 0.0 111.575 -179.521 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.5 tp -36.45 -50.71 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.891 -0.505 . . . . 0.0 111.282 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.4 12.22 19.13 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.981 -1.074 . . . . 0.0 111.177 -179.429 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.652 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.1 m-70 -124.55 -146.21 0.35 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.991 -1.068 . . . . 0.0 110.098 -179.178 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.7 mmpt? 57.9 -140.44 0.79 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.182 -0.949 . . . . 0.0 109.952 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 121.42 15.5 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.376 -0.828 . . . . 0.0 109.793 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -166.13 175.68 8.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.192 -0.943 . . . . 0.0 110.405 -179.73 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.07 127.12 39.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.153 -0.967 . . . . 0.0 110.226 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.929 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.428 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.093 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.3 mp -44.75 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.222 -0.924 . . . . 0.0 109.565 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.863 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.3 OUTLIER 61.37 -70.55 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.272 0.558 . . . . 0.0 110.047 -179.38 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.683 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 51.7 p90 -75.66 -55.6 5.5 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.239 -0.913 . . . . 0.0 111.728 -179.453 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.093 ' HB2' HG23 ' A' ' 1' ' ' ILE . 40.5 m95 -14.9 -56.19 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.674 0 CA-C-O 121.754 0.788 . . . . 0.0 111.744 -179.567 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.565 HD12 HD13 ' A' ' 10' ' ' LEU . 9.3 tp -35.9 -47.66 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.888 -0.508 . . . . 0.0 111.378 -179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.43 19.3 5.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.947 -1.096 . . . . 0.0 111.558 -179.342 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.667 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 1.6 m-70 -129.84 -39.98 1.39 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.876 -1.14 . . . . 0.0 109.961 -179.701 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.4 ptpt -64.02 -144.96 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.316 -0.865 . . . . 0.0 110.121 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' ALA . . . -42.41 -50.88 5.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.258 -0.901 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -47.15 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.237 -0.914 . . . . 0.0 110.263 179.956 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -118.12 63.35 0.76 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.918 . . . . 0.0 110.19 179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.405 ' O ' ' C ' ' A' ' 1' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.066 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.8 mt -45.91 -84.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 109.99 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.877 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.1 m-20 62.72 -68.37 0.07 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.653 -0.654 . . . . 0.0 109.97 -179.086 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.727 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 39.9 p90 -75.86 -54.71 6.49 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.368 -0.832 . . . . 0.0 112.0 -179.462 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.066 ' HB2' HG23 ' A' ' 1' ' ' ILE . 35.0 m95 -15.77 -56.07 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.677 0 CA-C-O 121.707 0.765 . . . . 0.0 111.636 -179.493 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 3' ' ' TYR . 8.5 tp -36.82 -51.07 0.88 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.929 -0.482 . . . . 0.0 111.327 -179.817 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.515 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.18 11.57 20.63 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.024 -1.047 . . . . 0.0 110.987 -179.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.639 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.9 m-70 -122.85 -116.65 0.3 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.126 -0.984 . . . . 0.0 110.181 -179.229 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' LEU . 12.7 mttt 59.73 161.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.911 -1.118 . . . . 0.0 110.285 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.93 95.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.27 -179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . 1.3 tt -134.73 109.03 8.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.888 . . . . 0.0 110.176 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.9 -166.11 2.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.24 -0.913 . . . . 0.0 110.334 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.722 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.034 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.4 mp -47.71 -81.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.194 -0.941 . . . . 0.0 109.678 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.859 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.5 OUTLIER 61.45 -70.26 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.405 0.621 . . . . 0.0 110.014 -179.275 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 43.3 p90 -75.7 -53.54 8.38 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.302 -0.874 . . . . 0.0 111.92 -179.358 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.034 ' HB2' HG23 ' A' ' 1' ' ' ILE . 37.0 m95 -16.58 -55.17 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.693 0 CA-C-O 121.687 0.755 . . . . 0.0 111.447 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' TYR . 7.6 tp -36.86 -52.38 0.93 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.937 -0.477 . . . . 0.0 110.987 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.29 8.0 35.53 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.149 -0.969 . . . . 0.0 111.094 -179.312 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.656 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -122.47 7.52 9.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.96 -1.087 . . . . 0.0 110.262 -179.168 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 4' ' ' TRP . 3.1 mtmt -87.71 -159.19 0.51 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 0.0 110.135 179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.41 104.93 0.2 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.117 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -177.42 126.46 0.14 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.251 -0.906 . . . . 0.0 110.195 -179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.95 -170.1 2.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.233 -0.917 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.028 HG23 ' HB2' ' A' ' 4' ' ' TRP . 1.1 mt -49.51 -80.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.2 -0.938 . . . . 0.0 109.7 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.87 ' N ' HG22 ' A' ' 1' ' ' ILE . 1.2 m-20 59.77 -68.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.09 0.472 . . . . 0.0 110.345 -179.064 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 4' ' ' TRP . 45.1 p90 -75.69 -55.17 5.91 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.261 -0.899 . . . . 0.0 111.686 -179.455 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 1.028 ' HB2' HG23 ' A' ' 1' ' ' ILE . 38.7 m95 -15.44 -56.02 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.692 0 CA-C-O 121.845 0.831 . . . . 0.0 111.495 -179.683 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' TYR . 19.3 tp -35.1 -50.84 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.963 -0.46 . . . . 0.0 111.526 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.543 ' C ' ' CD2' ' A' ' 7' ' ' HIS . . . -90.47 17.01 7.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.97 -1.081 . . . . 0.0 111.565 -179.196 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.657 ' N ' ' CD2' ' A' ' 7' ' ' HIS . 2.3 m-70 -126.52 -72.83 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.848 -1.157 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 7' ' ' HIS . 12.6 mmtp 43.68 -157.61 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.13 -0.981 . . . . 0.0 110.096 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.94 54.86 2.95 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.552 -0.718 . . . . 0.0 110.184 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -112.08 171.03 7.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.286 -0.884 . . . . 0.0 110.512 -179.864 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . 58.28 178.69 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_