data_1g8c_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 1g8c _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 ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.526 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 2' ' ' LEU . 2.7 pp -71.22 144.99 90.39 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.879 . . . . 0.0 110.425 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -74.86 -72.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.953 1.501 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.39 87.75 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.112 -0.993 . . . . 0.0 110.687 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -55.77 125.01 19.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.529 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.416 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -116.47 141.49 28.06 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.137 -0.977 . . . . 0.0 111.052 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 48.6 Cg_endo -75.14 104.29 1.88 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.18 1.621 . . . . 0.0 110.071 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 23.6 t90 -140.77 40.88 1.84 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.101 -0.999 . . . . 0.0 110.362 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.528 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -48.54 104.19 0.4 Allowed Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.745 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 48.0 Cg_endo -74.43 65.19 5.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.769 1.405 . . . . 0.0 109.985 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -30.92 -63.2 0.16 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 121.616 0.722 . . . . 0.0 111.248 -178.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 1.1 ptm180 -63.46 107.62 1.16 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 110.539 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 118.03 17.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.097 -1.002 . . . . 0.0 110.046 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.26 0.552 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -52.68 174.55 0.13 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.85 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' HD12 ' A' ' 2' ' ' LEU . 42.6 Cg_endo -69.61 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.76 1.4 . . . . 0.0 110.656 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' LYS . 20.3 p90 -51.2 -19.33 1.16 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.217 -0.927 . . . . 0.0 111.272 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' CB ' ' CD1' ' A' ' 2' ' ' LEU . 3.9 mtpt -43.86 149.97 0.28 Allowed 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -113.07 147.49 37.38 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.36 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 45.0 Cg_endo -73.97 98.32 1.07 Allowed 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.06 1.558 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 t90 -179.11 99.89 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.223 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.535 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -100.18 92.84 2.27 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.273 -0.892 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.8 Cg_endo -69.07 75.23 0.93 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 O-C-N 123.69 1.363 . . . . 0.0 110.452 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -36.08 -71.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 121.647 0.737 . . . . 0.0 110.959 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' NE ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -63.73 168.7 4.65 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.541 -0.724 . . . . 0.0 110.594 -179.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -80.87 170.36 16.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.127 179.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 1' ' ' ILE . 21.8 pt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.91 68.81 3.1 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.092 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.437 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 49.1 Cg_endo -77.25 7.25 3.81 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.148 1.604 . . . . 0.0 110.824 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.437 ' CE2' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -112.68 11.67 19.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 110.668 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 132.28 52.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -102.1 133.97 20.34 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.918 . . . . 0.0 110.218 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 49.9 Cg_endo -81.98 137.61 9.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.023 1.538 . . . . 0.0 110.837 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.455 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 178.33 97.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.392 -0.818 . . . . 0.0 109.624 179.436 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.547 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -119.11 76.03 15.29 Favored Pre-proline 0 C--N 1.304 -1.401 0 O-C-N 121.264 -0.897 . . . . 0.0 110.099 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.4 Cg_endo -74.74 137.73 22.76 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.055 1.555 . . . . 0.0 110.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.494 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.71 -64.87 0.15 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.007 -179.603 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -68.18 154.15 42.3 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.61 -0.681 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -92.09 110.92 22.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.289 -0.882 . . . . 0.0 109.642 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.168 0.508 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 2' ' ' LEU . 3.1 pp -159.06 134.97 6.15 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 43.8 Cg_endo -74.08 -60.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.868 1.457 . . . . 0.0 109.797 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER 179.95 94.08 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 110.472 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.17 155.15 2.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 110.193 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' CD2' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -141.04 137.29 16.78 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 110.264 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 6' ' ' TRP . 45.6 Cg_endo -72.96 121.0 6.95 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.15 99.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 110.205 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' C ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -110.32 75.9 1.0 Allowed Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.338 -0.851 . . . . 0.0 109.498 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.6 Cg_endo -70.3 73.18 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.996 1.524 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' PRO . 2.5 t-105 -36.78 -34.27 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.498 0.666 . . . . 0.0 111.003 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -104.69 132.06 51.39 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.45 -0.781 . . . . 0.0 110.487 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -91.49 112.72 24.75 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.398 -0.813 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.409 HG21 ' O ' ' A' ' 1' ' ' ILE . 33.6 mt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.851 0.834 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 1.9 pt? -66.94 146.42 99.09 Favored Pre-proline 0 C--N 1.293 -1.887 0 O-C-N 121.68 -0.637 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -74.62 87.34 1.27 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 O-C-N 123.986 1.519 . . . . 0.0 110.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -167.77 -57.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 110.766 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -92.47 35.05 1.02 Allowed 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.813 -0.554 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.519 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -107.87 146.95 34.49 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.967 . . . . 0.0 110.459 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 47.4 Cg_endo -75.03 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.154 1.607 . . . . 0.0 110.758 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 13.9 t90 -168.14 82.68 0.18 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 0.0 110.268 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -102.89 95.39 6.37 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.5 Cg_endo -70.82 89.17 0.64 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.949 1.499 . . . . 0.0 110.33 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.514 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -27.47 -61.39 0.1 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 121.578 0.704 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -39.6 124.99 1.73 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.73 -0.606 . . . . 0.0 110.469 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -86.68 105.82 17.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 0.0 109.814 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 39.4 mt . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.34 0.59 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 HD21 ' HD2' ' A' ' 3' ' ' PRO . 6.7 mt -111.53 132.61 21.76 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' HD21 ' A' ' 2' ' ' LEU . 44.6 Cg_endo -73.01 85.8 1.16 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.837 1.44 . . . . 0.0 110.282 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.23 -67.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.153 -0.967 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -94.86 54.21 1.7 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.834 -0.541 . . . . 0.0 110.508 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 5.6 t-105 -120.51 145.35 40.54 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 110.574 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 46.6 Cg_endo -89.55 127.76 1.67 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 O-C-N 124.122 1.59 . . . . 0.0 110.995 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 1.3 t90 179.49 100.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.09 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CE3' ' C ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -108.28 76.32 0.63 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.337 -0.852 . . . . 0.0 109.845 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 11' ' ' TRP . 44.2 Cg_endo -72.51 125.78 10.96 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.155 1.608 . . . . 0.0 110.411 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -33.53 -67.3 0.13 Allowed 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.523 0.678 . . . . 0.0 111.114 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -38.38 137.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.755 -0.59 . . . . 0.0 110.816 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.09 69.7 1.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.434 -0.791 . . . . 0.0 110.387 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 22.4 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.925 0.869 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.6 OUTLIER -137.4 162.18 56.55 Favored Pre-proline 0 C--N 1.292 -1.906 0 O-C-N 121.714 -0.616 . . . . 0.0 110.27 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.455 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 47.5 Cg_endo -73.07 82.14 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 O-C-N 123.938 1.494 . . . . 0.0 110.517 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 2.2 t-105 -178.09 -47.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -104.77 65.21 0.75 Allowed 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.206 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.3 t-105 -79.62 148.24 69.06 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.4 Cg_endo -86.0 125.51 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 124.254 1.66 . . . . 0.0 110.496 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.433 ' C ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 177.33 102.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CE3' ' CA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -113.5 72.98 1.91 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.797 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 12' ' ' ARG . 46.9 Cg_endo -74.18 64.38 5.26 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.97 1.511 . . . . 0.0 110.424 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -32.94 -65.22 0.17 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 121.489 0.661 . . . . 0.0 111.113 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.6 168.62 5.77 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.419 -0.801 . . . . 0.0 110.544 -179.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -105.67 -30.65 9.33 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.148 -0.97 . . . . 0.0 109.862 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.211 0.529 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.06 144.34 17.5 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 110.177 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.63 -11.72 24.29 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.018 1.536 . . . . 0.0 110.789 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -113.23 63.51 0.64 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' CG ' ' HG ' ' A' ' 2' ' ' LEU . 20.3 mtpt -87.22 -169.48 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.4 t-105 -67.28 148.43 98.75 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.181 -0.949 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 47.9 Cg_endo -85.41 124.27 2.74 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 O-C-N 124.335 1.703 . . . . 0.0 110.582 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 100.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.183 -0.948 . . . . 0.0 110.246 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CE3' ' CA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -115.05 73.46 3.31 Favored Pre-proline 0 N--CA 1.487 1.401 0 O-C-N 121.307 -0.871 . . . . 0.0 109.648 179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.561 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 44.3 Cg_endo -72.84 68.7 3.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.116 1.587 . . . . 0.0 110.257 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.66 -65.15 0.14 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.488 0.661 . . . . 0.0 111.003 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.561 ' NH2' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -69.82 -179.56 1.87 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.351 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.23 -36.19 6.61 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.264 -0.897 . . . . 0.0 109.852 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.349 0.595 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -143.53 153.96 59.32 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.393 -0.817 . . . . 0.0 109.994 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 47.2 Cg_endo -74.72 92.65 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.018 1.536 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 1.4 t-105 -176.92 -47.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.657 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -91.96 52.03 1.92 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.341 0.591 . . . . 0.0 110.645 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.7 t-105 -110.28 147.85 37.17 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 0.0 110.463 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.608 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.1 Cg_endo -84.65 108.1 1.21 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.312 1.69 . . . . 0.0 110.464 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 14.4 t90 -172.27 98.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 110.204 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.13 94.68 3.41 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 110.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 41.3 Cg_endo -67.63 98.71 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.002 1.527 . . . . 0.0 110.414 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -38.84 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.838 0.827 . . . . 0.0 110.699 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 tpm_? -67.42 108.98 2.99 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-O 121.324 0.583 . . . . 0.0 110.258 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.01 122.6 18.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 14.1 mm . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.714 0.768 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.96 119.97 47.31 Favored Pre-proline 0 C--N 1.29 -1.984 0 O-C-N 121.931 -0.481 . . . . 0.0 110.105 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.87 159.89 47.25 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.962 1.506 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -102.18 -89.15 0.38 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.198 -0.939 . . . . 0.0 110.432 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 109.29 11.25 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.468 -0.77 . . . . 0.0 110.1 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -81.82 142.52 48.94 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -77.22 75.32 4.68 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 O-C-N 124.176 1.619 . . . . 0.0 110.443 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.491 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.0 t90 -138.07 49.44 1.94 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 110.432 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -41.66 100.67 0.23 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.109 -0.995 . . . . 0.0 110.436 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.4 Cg_endo -70.61 66.1 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.938 1.493 . . . . 0.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.0 -60.3 0.11 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.798 0.809 . . . . 0.0 111.293 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 117.81 4.93 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.789 -0.569 . . . . 0.0 110.483 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.66 144.82 24.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.286 0.565 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.67 72.11 73.96 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.956 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.6 5.61 4.17 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 124.044 1.55 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 5.37 22.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.073 -1.017 . . . . 0.0 110.344 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 165.92 12.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.206 -0.934 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.1 t-105 -48.83 148.62 3.66 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.613 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 45.7 Cg_endo -86.21 109.03 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.258 1.662 . . . . 0.0 110.51 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.486 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.6 t90 -167.85 43.96 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.88 106.04 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.887 . . . . 0.0 110.375 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.2 Cg_endo -70.05 92.4 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.864 1.455 . . . . 0.0 110.475 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.84 -60.78 0.13 Allowed 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 121.403 0.62 . . . . 0.0 111.599 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -35.2 118.08 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.328 0.585 . . . . 0.0 110.92 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -108.23 82.79 1.68 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.336 -0.852 . . . . 0.0 109.945 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.238 0.542 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -140.77 164.81 33.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.093 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 2' ' ' LEU . 41.5 Cg_endo -70.8 82.13 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.802 1.422 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 3.1 t-105 -178.43 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -144.13 19.92 1.76 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 4.7 t-105 -139.17 147.47 53.43 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.842 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.59 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 46.3 Cg_endo -87.33 129.36 2.73 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.175 1.618 . . . . 0.0 110.713 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.465 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 12.6 t90 -177.06 76.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.238 -0.914 . . . . 0.0 110.173 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -87.88 108.63 21.97 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.928 . . . . 0.0 110.462 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.0 Cg_endo -72.61 150.73 51.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 O-C-N 123.87 1.458 . . . . 0.0 110.172 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.8 -59.99 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.33 0.586 . . . . 0.0 111.787 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -32.3 120.59 0.3 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.407 0.622 . . . . 0.0 111.103 -179.108 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.34 170.74 9.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.518 HD12 HG21 ' A' ' 1' ' ' ILE . 10.9 mt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.193 0.52 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 2' ' ' LEU . 10.0 mt -43.93 139.31 3.01 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.273 -0.892 . . . . 0.0 110.171 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 45.9 Cg_endo -74.14 58.42 4.26 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.079 1.568 . . . . 0.0 110.548 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.75 -72.96 0.63 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -80.81 55.1 2.31 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 121.819 -0.551 . . . . 0.0 109.855 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.426 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -81.3 143.8 52.75 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.367 -0.833 . . . . 0.0 110.575 -179.667 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 47.9 Cg_endo -77.51 137.9 16.9 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 124.091 1.574 . . . . 0.0 110.472 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.465 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 19.3 t90 178.71 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.9 OUTLIER -110.1 92.67 13.54 Favored Pre-proline 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.1 Cg_endo -71.95 105.63 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.041 1.548 . . . . 0.0 110.139 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -29.36 -63.99 0.11 Allowed 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 121.54 0.686 . . . . 0.0 111.264 -179.257 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.78 107.99 0.24 Allowed 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.658 -0.651 . . . . 0.0 110.104 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -101.77 109.19 20.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.95 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 2' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.143 0.497 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 0.5 OUTLIER -110.47 100.9 46.85 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 110.415 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 50.1 Cg_endo -76.64 -1.69 11.82 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.135 1.597 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CE2' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -112.73 34.55 4.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.135 -0.978 . . . . 0.0 110.68 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' ' 2' ' ' LEU . 5.1 mmmt -96.1 53.09 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.073 -1.017 . . . . 0.0 110.138 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.21 140.12 37.01 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.674 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.77 116.23 4.54 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.171 1.616 . . . . 0.0 110.289 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.13 99.71 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.264 -0.898 . . . . 0.0 110.128 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.429 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -116.95 73.52 6.46 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.162 -0.961 . . . . 0.0 110.099 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -74.34 158.62 44.5 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 123.893 1.47 . . . . 0.0 110.17 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -64.9 -26.22 68.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.26 -0.9 . . . . 0.0 110.492 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ARG . 1.4 tmm_? -125.49 -157.23 0.77 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.966 0.889 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ARG . 4.0 ttp180 -35.99 -43.62 0.33 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.723 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.483 HG23 HD11 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.263 0.554 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -114.77 129.89 24.61 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.308 -0.87 . . . . 0.0 109.685 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' N ' HD13 ' A' ' 2' ' ' LEU . 46.0 Cg_endo -73.1 95.08 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.911 1.48 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.458 ' HB3' ' HD2' ' A' ' 5' ' ' LYS . 1.5 t-105 -178.79 -46.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.296 -0.878 . . . . 0.0 110.423 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HD2' ' HB3' ' A' ' 4' ' ' TRP . 5.3 mptt -88.74 115.21 26.11 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.327 0.584 . . . . 0.0 110.208 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.493 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -102.6 147.4 33.99 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.165 -0.959 . . . . 0.0 110.378 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.493 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 46.5 Cg_endo -74.68 76.55 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.104 1.581 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 23.6 t90 -125.07 46.87 2.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.468 ' CE3' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -49.25 105.13 0.47 Allowed Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.097 -1.002 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.2 Cg_endo -69.66 -158.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.907 1.477 . . . . 0.0 110.367 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -65.9 0.97 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 110.279 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -120.62 -175.33 3.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.429 -0.794 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 2.5 ttm180 -108.75 90.14 3.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.738 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.384 0.612 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.18 69.8 2.13 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.0 110.104 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.55 1.46 7.45 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 O-C-N 124.078 1.567 . . . . 0.0 110.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.59 40.25 1.92 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.63 68.48 7.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 110.237 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.2 136.57 23.04 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.983 . . . . 0.0 110.421 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -75.14 132.65 15.47 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 124.075 1.566 . . . . 0.0 110.04 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.54 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.983 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.559 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -118.5 82.06 18.86 Favored Pre-proline 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 0.0 109.701 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.8 Cg_endo -73.35 79.54 2.1 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 O-C-N 124.099 1.579 . . . . 0.0 110.511 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.73 -60.92 0.12 Allowed 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 121.803 0.811 . . . . 0.0 111.108 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.28 117.85 1.52 Allowed 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.727 -0.608 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 2.0 ttm180 -105.14 84.21 2.09 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 109.894 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.526 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.7 pp -71.22 144.99 90.39 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.879 . . . . 0.0 110.425 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -74.86 -72.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.953 1.501 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.39 87.75 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.112 -0.993 . . . . 0.0 110.687 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -55.77 125.01 19.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.529 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.405 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -116.47 141.49 28.06 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.137 -0.977 . . . . 0.0 111.052 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 48.6 Cg_endo -75.14 104.29 1.88 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.18 1.621 . . . . 0.0 110.071 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 23.6 t90 -140.77 40.88 1.84 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.101 -0.999 . . . . 0.0 110.362 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -48.54 104.19 0.4 Allowed Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.745 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.0 Cg_endo -74.43 65.19 5.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.769 1.405 . . . . 0.0 109.985 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -30.92 -63.2 0.16 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 121.616 0.722 . . . . 0.0 111.248 -178.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 1.1 ptm180 -63.46 107.62 1.16 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 110.539 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -74.88 118.03 17.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.097 -1.002 . . . . 0.0 110.046 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.26 0.552 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.74 HD12 ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -52.68 174.55 0.13 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.85 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.74 ' CD ' HD12 ' A' ' 2' ' ' LEU . 42.6 Cg_endo -69.61 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.76 1.4 . . . . 0.0 110.656 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' LYS . 20.3 p90 -51.2 -19.33 1.16 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.217 -0.927 . . . . 0.0 111.272 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' CB ' ' CD1' ' A' ' 2' ' ' LEU . 3.9 mtpt -43.86 149.97 0.28 Allowed 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -113.07 147.49 37.38 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.36 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 45.0 Cg_endo -73.97 98.32 1.07 Allowed 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.06 1.558 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 t90 -179.11 99.89 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.223 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -100.18 92.84 2.27 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.273 -0.892 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.8 Cg_endo -69.07 75.23 0.93 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 O-C-N 123.69 1.363 . . . . 0.0 110.452 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -36.08 -71.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 121.647 0.737 . . . . 0.0 110.959 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' NH1' ' HA ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -63.73 168.7 4.65 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.541 -0.724 . . . . 0.0 110.594 -179.627 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -80.87 170.36 16.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.127 179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 1' ' ' ILE . 21.8 pt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.91 68.81 3.1 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.092 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 49.1 Cg_endo -77.25 7.25 3.81 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.148 1.604 . . . . 0.0 110.824 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -112.68 11.67 19.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 110.668 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 132.28 52.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.4 OUTLIER -102.1 133.97 20.34 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.918 . . . . 0.0 110.218 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 49.9 Cg_endo -81.98 137.61 9.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.023 1.538 . . . . 0.0 110.837 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 178.33 97.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.392 -0.818 . . . . 0.0 109.624 179.436 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -119.11 76.03 15.29 Favored Pre-proline 0 C--N 1.304 -1.401 0 O-C-N 121.264 -0.897 . . . . 0.0 110.099 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.4 Cg_endo -74.74 137.73 22.76 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.055 1.555 . . . . 0.0 110.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.494 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.71 -64.87 0.15 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.007 -179.603 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -68.18 154.15 42.3 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.61 -0.681 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -92.09 110.92 22.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.289 -0.882 . . . . 0.0 109.642 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.168 0.508 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 2' ' ' LEU . 3.1 pp -159.06 134.97 6.15 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 43.8 Cg_endo -74.08 -60.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.868 1.457 . . . . 0.0 109.797 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER 179.95 94.08 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 110.472 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.17 155.15 2.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 110.193 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' CD2' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -141.04 137.29 16.78 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 110.264 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 6' ' ' TRP . 45.6 Cg_endo -72.96 121.0 6.95 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.15 99.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 110.205 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' CE3' ' C ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -110.32 75.9 1.0 Allowed Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.338 -0.851 . . . . 0.0 109.498 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.6 Cg_endo -70.3 73.18 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.996 1.524 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' PRO . 2.5 t-105 -36.78 -34.27 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.498 0.666 . . . . 0.0 111.003 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -104.69 132.06 51.39 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.45 -0.781 . . . . 0.0 110.487 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -91.49 112.72 24.75 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.398 -0.813 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 1' ' ' ILE . 33.6 mt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.851 0.834 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.9 pt? -66.94 146.42 99.09 Favored Pre-proline 0 C--N 1.293 -1.887 0 O-C-N 121.68 -0.637 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -74.62 87.34 1.27 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 O-C-N 123.986 1.519 . . . . 0.0 110.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -167.77 -57.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 110.766 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -92.47 35.05 1.02 Allowed 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.813 -0.554 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -107.87 146.95 34.49 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.967 . . . . 0.0 110.459 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 47.4 Cg_endo -75.03 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.154 1.607 . . . . 0.0 110.758 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 13.9 t90 -168.14 82.68 0.18 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 0.0 110.268 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.525 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -102.89 95.39 6.37 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.5 Cg_endo -70.82 89.17 0.64 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.949 1.499 . . . . 0.0 110.33 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.514 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -27.47 -61.39 0.1 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 121.578 0.704 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -39.6 124.99 1.73 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.73 -0.606 . . . . 0.0 110.469 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -86.68 105.82 17.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 0.0 109.814 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 2' ' ' LEU . 39.4 mt . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.34 0.59 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 3' ' ' PRO . 6.7 mt -111.53 132.61 21.76 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' HD2' HD23 ' A' ' 2' ' ' LEU . 44.6 Cg_endo -73.01 85.8 1.16 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.837 1.44 . . . . 0.0 110.282 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.23 -67.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.153 -0.967 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -94.86 54.21 1.7 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.834 -0.541 . . . . 0.0 110.508 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 5.6 t-105 -120.51 145.35 40.54 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 110.574 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.583 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 46.6 Cg_endo -89.55 127.76 1.67 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 O-C-N 124.122 1.59 . . . . 0.0 110.995 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 1.3 t90 179.49 100.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.09 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' CE3' ' C ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -108.28 76.32 0.63 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.337 -0.852 . . . . 0.0 109.845 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 44.2 Cg_endo -72.51 125.78 10.96 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.155 1.608 . . . . 0.0 110.411 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -33.53 -67.3 0.13 Allowed 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.523 0.678 . . . . 0.0 111.114 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -38.38 137.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.755 -0.59 . . . . 0.0 110.816 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.09 69.7 1.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.434 -0.791 . . . . 0.0 110.387 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' O ' HG22 ' A' ' 1' ' ' ILE . 22.4 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.925 0.869 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.6 OUTLIER -137.4 162.18 56.55 Favored Pre-proline 0 C--N 1.292 -1.906 0 O-C-N 121.714 -0.616 . . . . 0.0 110.27 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 47.5 Cg_endo -73.07 82.14 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 O-C-N 123.938 1.494 . . . . 0.0 110.517 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 2.2 t-105 -178.09 -47.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -104.77 65.21 0.75 Allowed 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.206 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.3 t-105 -79.62 148.24 69.06 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.4 Cg_endo -86.0 125.51 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 124.254 1.66 . . . . 0.0 110.496 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.458 ' C ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 177.33 102.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -113.5 72.98 1.91 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.797 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 12' ' ' ARG . 46.9 Cg_endo -74.18 64.38 5.26 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.97 1.511 . . . . 0.0 110.424 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -32.94 -65.22 0.17 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 121.489 0.661 . . . . 0.0 111.113 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.6 168.62 5.77 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.419 -0.801 . . . . 0.0 110.544 -179.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -105.67 -30.65 9.33 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.148 -0.97 . . . . 0.0 109.862 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.211 0.529 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.597 HD12 ' HD1' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.06 144.34 17.5 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 110.177 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.63 -11.72 24.29 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.018 1.536 . . . . 0.0 110.789 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -113.23 63.51 0.64 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' CG ' ' HG ' ' A' ' 2' ' ' LEU . 20.3 mtpt -87.22 -169.48 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.4 t-105 -67.28 148.43 98.75 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.181 -0.949 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 47.9 Cg_endo -85.41 124.27 2.74 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 O-C-N 124.335 1.703 . . . . 0.0 110.582 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' C ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -179.35 100.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.183 -0.948 . . . . 0.0 110.246 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -115.05 73.46 3.31 Favored Pre-proline 0 N--CA 1.487 1.401 0 O-C-N 121.307 -0.871 . . . . 0.0 109.648 179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.561 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 44.3 Cg_endo -72.84 68.7 3.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.116 1.587 . . . . 0.0 110.257 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.66 -65.15 0.14 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.488 0.661 . . . . 0.0 111.003 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.561 ' NH2' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -69.82 -179.56 1.87 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.351 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.23 -36.19 6.61 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.264 -0.897 . . . . 0.0 109.852 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.349 0.595 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -143.53 153.96 59.32 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.393 -0.817 . . . . 0.0 109.994 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.72 92.65 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.018 1.536 . . . . 0.0 110.31 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -176.92 -47.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.657 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -91.96 52.03 1.92 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.341 0.591 . . . . 0.0 110.645 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.7 t-105 -110.28 147.85 37.17 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 0.0 110.463 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.608 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.1 Cg_endo -84.65 108.1 1.21 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.312 1.69 . . . . 0.0 110.464 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 14.4 t90 -172.27 98.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 110.204 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.13 94.68 3.41 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 110.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 41.3 Cg_endo -67.63 98.71 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.002 1.527 . . . . 0.0 110.414 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -38.84 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.838 0.827 . . . . 0.0 110.699 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 tpm_? -67.42 108.98 2.99 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-O 121.324 0.583 . . . . 0.0 110.258 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.01 122.6 18.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 1' ' ' ILE . 14.1 mm . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.714 0.768 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.96 119.97 47.31 Favored Pre-proline 0 C--N 1.29 -1.984 0 O-C-N 121.931 -0.481 . . . . 0.0 110.105 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.87 159.89 47.25 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.962 1.506 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -102.18 -89.15 0.38 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.198 -0.939 . . . . 0.0 110.432 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 109.29 11.25 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.468 -0.77 . . . . 0.0 110.1 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -81.82 142.52 48.94 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -77.22 75.32 4.68 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 O-C-N 124.176 1.619 . . . . 0.0 110.443 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.0 t90 -138.07 49.44 1.94 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 110.432 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -41.66 100.67 0.23 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.109 -0.995 . . . . 0.0 110.436 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.4 Cg_endo -70.61 66.1 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.938 1.493 . . . . 0.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.0 -60.3 0.11 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.798 0.809 . . . . 0.0 111.293 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 117.81 4.93 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.789 -0.569 . . . . 0.0 110.483 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.66 144.82 24.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.286 0.565 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.67 72.11 73.96 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.956 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.6 5.61 4.17 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 124.044 1.55 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 5.37 22.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.073 -1.017 . . . . 0.0 110.344 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 165.92 12.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.206 -0.934 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.1 t-105 -48.83 148.62 3.66 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.613 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 45.7 Cg_endo -86.21 109.03 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.258 1.662 . . . . 0.0 110.51 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.474 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.6 t90 -167.85 43.96 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.88 106.04 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.887 . . . . 0.0 110.375 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.2 Cg_endo -70.05 92.4 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.864 1.455 . . . . 0.0 110.475 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.84 -60.78 0.13 Allowed 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 121.403 0.62 . . . . 0.0 111.599 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -35.2 118.08 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.328 0.585 . . . . 0.0 110.92 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -108.23 82.79 1.68 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.336 -0.852 . . . . 0.0 109.945 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.238 0.542 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -140.77 164.81 33.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.093 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 2' ' ' LEU . 41.5 Cg_endo -70.8 82.13 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.802 1.422 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 3.1 t-105 -178.43 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -144.13 19.92 1.76 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.7 t-105 -139.17 147.47 53.43 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.842 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.3 Cg_endo -87.33 129.36 2.73 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.175 1.618 . . . . 0.0 110.713 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.482 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 12.6 t90 -177.06 76.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.238 -0.914 . . . . 0.0 110.173 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -87.88 108.63 21.97 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.928 . . . . 0.0 110.462 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.0 Cg_endo -72.61 150.73 51.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 O-C-N 123.87 1.458 . . . . 0.0 110.172 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.8 -59.99 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.33 0.586 . . . . 0.0 111.787 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -32.3 120.59 0.3 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.407 0.622 . . . . 0.0 111.103 -179.108 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.34 170.74 9.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 2' ' ' LEU . 10.9 mt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.193 0.52 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' A' ' 3' ' ' PRO . 10.0 mt -43.93 139.31 3.01 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.273 -0.892 . . . . 0.0 110.171 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 45.9 Cg_endo -74.14 58.42 4.26 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.079 1.568 . . . . 0.0 110.548 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.75 -72.96 0.63 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -80.81 55.1 2.31 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 121.819 -0.551 . . . . 0.0 109.855 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -81.3 143.8 52.75 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.367 -0.833 . . . . 0.0 110.575 -179.667 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 47.9 Cg_endo -77.51 137.9 16.9 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 124.091 1.574 . . . . 0.0 110.472 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 19.3 t90 178.71 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.506 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.9 OUTLIER -110.1 92.67 13.54 Favored Pre-proline 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.1 Cg_endo -71.95 105.63 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.041 1.548 . . . . 0.0 110.139 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -29.36 -63.99 0.11 Allowed 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 121.54 0.686 . . . . 0.0 111.264 -179.257 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.78 107.99 0.24 Allowed 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.658 -0.651 . . . . 0.0 110.104 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -101.77 109.19 20.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.95 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.728 HG23 ' N ' ' A' ' 2' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.143 0.497 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.745 HD23 ' HE1' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -110.47 100.9 46.85 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 110.415 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 50.1 Cg_endo -76.64 -1.69 11.82 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.135 1.597 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.745 ' HE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -112.73 34.55 4.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.135 -0.978 . . . . 0.0 110.68 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HG2' ' HB3' ' A' ' 2' ' ' LEU . 5.1 mmmt -96.1 53.09 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.073 -1.017 . . . . 0.0 110.138 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.21 140.12 37.01 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.674 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.77 116.23 4.54 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.171 1.616 . . . . 0.0 110.289 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.13 99.71 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.264 -0.898 . . . . 0.0 110.128 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -116.95 73.52 6.46 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.162 -0.961 . . . . 0.0 110.099 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -74.34 158.62 44.5 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 123.893 1.47 . . . . 0.0 110.17 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -64.9 -26.22 68.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.26 -0.9 . . . . 0.0 110.492 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ARG . 1.4 tmm_? -125.49 -157.23 0.77 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.966 0.889 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ARG . 4.0 ttp180 -35.99 -43.62 0.33 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.723 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.602 ' N ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.263 0.554 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.747 HD21 ' NZ ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -114.77 129.89 24.61 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.308 -0.87 . . . . 0.0 109.685 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.65 ' N ' HD12 ' A' ' 2' ' ' LEU . 46.0 Cg_endo -73.1 95.08 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.911 1.48 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.623 ' HB2' HD11 ' A' ' 2' ' ' LEU . 1.5 t-105 -178.79 -46.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.296 -0.878 . . . . 0.0 110.423 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' NZ ' HD21 ' A' ' 2' ' ' LEU . 5.3 mptt -88.74 115.21 26.11 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.327 0.584 . . . . 0.0 110.208 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.494 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -102.6 147.4 33.99 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.165 -0.959 . . . . 0.0 110.378 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 46.5 Cg_endo -74.68 76.55 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.104 1.581 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' CG ' ' O ' ' A' ' 8' ' ' TRP . 23.6 t90 -125.07 46.87 2.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.468 ' CE3' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -49.25 105.13 0.47 Allowed Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.097 -1.002 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.2 Cg_endo -69.66 -158.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.907 1.477 . . . . 0.0 110.367 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -65.9 0.97 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 110.279 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -120.62 -175.33 3.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.429 -0.794 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 2.5 ttm180 -108.75 90.14 3.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.738 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.384 0.612 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.18 69.8 2.13 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.0 110.104 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.55 1.46 7.45 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 O-C-N 124.078 1.567 . . . . 0.0 110.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.59 40.25 1.92 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.63 68.48 7.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 110.237 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.2 136.57 23.04 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.983 . . . . 0.0 110.421 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -75.14 132.65 15.47 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 124.075 1.566 . . . . 0.0 110.04 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.54 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.983 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -118.5 82.06 18.86 Favored Pre-proline 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 0.0 109.701 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.8 Cg_endo -73.35 79.54 2.1 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 O-C-N 124.099 1.579 . . . . 0.0 110.511 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.73 -60.92 0.12 Allowed 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 121.803 0.811 . . . . 0.0 111.108 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.28 117.85 1.52 Allowed 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.727 -0.608 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 2.0 ttm180 -105.14 84.21 2.09 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 109.894 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.526 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.7 pp -71.22 144.99 90.39 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.294 -0.879 . . . . 0.0 110.425 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -74.86 -72.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.953 1.501 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -177.39 87.75 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.112 -0.993 . . . . 0.0 110.687 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -55.77 125.01 19.44 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 0.0 109.529 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.405 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -116.47 141.49 28.06 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.137 -0.977 . . . . 0.0 111.052 -179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 48.6 Cg_endo -75.14 104.29 1.88 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 O-C-N 124.18 1.621 . . . . 0.0 110.071 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CG ' ' O ' ' A' ' 8' ' ' TRP . 23.6 t90 -140.77 40.88 1.84 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.101 -0.999 . . . . 0.0 110.362 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -48.54 104.19 0.4 Allowed Pre-proline 0 C--N 1.298 -1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.745 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.0 Cg_endo -74.43 65.19 5.52 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.769 1.405 . . . . 0.0 109.985 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -30.92 -63.2 0.16 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 121.616 0.722 . . . . 0.0 111.248 -178.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 1.1 ptm180 -63.46 107.62 1.16 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 110.539 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -74.88 118.03 17.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.097 -1.002 . . . . 0.0 110.046 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.6 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.26 0.552 . . . . 0.0 110.152 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.74 HD12 ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -52.68 174.55 0.13 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.85 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.74 ' CD ' HD12 ' A' ' 2' ' ' LEU . 42.6 Cg_endo -69.61 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.76 1.4 . . . . 0.0 110.656 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 5' ' ' LYS . 20.3 p90 -51.2 -19.33 1.16 Allowed 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.217 -0.927 . . . . 0.0 111.272 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' CB ' ' CD1' ' A' ' 2' ' ' LEU . 3.9 mtpt -43.86 149.97 0.28 Allowed 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -113.07 147.49 37.38 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.313 -0.867 . . . . 0.0 110.36 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.55 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 45.0 Cg_endo -73.97 98.32 1.07 Allowed 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.06 1.558 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 18.2 t90 -179.11 99.89 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.0 110.223 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -100.18 92.84 2.27 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.273 -0.892 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.8 Cg_endo -69.07 75.23 0.93 Allowed 'Trans proline' 0 C--N 1.308 -1.601 0 O-C-N 123.69 1.363 . . . . 0.0 110.452 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -36.08 -71.49 0.07 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 121.647 0.737 . . . . 0.0 110.959 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' NH1' ' HA ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -63.73 168.7 4.65 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.541 -0.724 . . . . 0.0 110.594 -179.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -80.87 170.36 16.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 110.127 179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.421 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 1' ' ' ILE . 21.8 pt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.91 68.81 3.1 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.188 -0.945 . . . . 0.0 110.092 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.443 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 49.1 Cg_endo -77.25 7.25 3.81 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.148 1.604 . . . . 0.0 110.824 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -112.68 11.67 19.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.066 -1.021 . . . . 0.0 110.668 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 132.28 52.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 109.976 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.4 OUTLIER -102.1 133.97 20.34 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.918 . . . . 0.0 110.218 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 49.9 Cg_endo -81.98 137.61 9.86 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.023 1.538 . . . . 0.0 110.837 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 178.33 97.34 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.392 -0.818 . . . . 0.0 109.624 179.436 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -119.11 76.03 15.29 Favored Pre-proline 0 C--N 1.304 -1.401 0 O-C-N 121.264 -0.897 . . . . 0.0 110.099 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.4 Cg_endo -74.74 137.73 22.76 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.055 1.555 . . . . 0.0 110.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.494 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.71 -64.87 0.15 Allowed 'General case' 0 N--CA 1.506 2.327 0 CA-C-O 121.661 0.743 . . . . 0.0 111.007 -179.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -68.18 154.15 42.3 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.61 -0.681 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -92.09 110.92 22.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.289 -0.882 . . . . 0.0 109.642 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.168 0.508 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.576 HD12 ' C ' ' A' ' 2' ' ' LEU . 3.1 pp -159.06 134.97 6.15 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.317 -0.864 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 43.8 Cg_endo -74.08 -60.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 123.868 1.457 . . . . 0.0 109.797 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER 179.95 94.08 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 110.472 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.17 155.15 2.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.468 -0.77 . . . . 0.0 110.193 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' CD2' ' HD2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -141.04 137.29 16.78 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.105 -0.997 . . . . 0.0 110.264 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 6' ' ' TRP . 45.6 Cg_endo -72.96 121.0 6.95 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 O-C-N 124.085 1.571 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.15 99.03 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.0 110.205 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -110.32 75.9 1.0 Allowed Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.338 -0.851 . . . . 0.0 109.498 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.6 Cg_endo -70.3 73.18 1.64 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 123.996 1.524 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' PRO . 2.5 t-105 -36.78 -34.27 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 CA-C-O 121.498 0.666 . . . . 0.0 111.003 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -104.69 132.06 51.39 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.45 -0.781 . . . . 0.0 110.487 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -91.49 112.72 24.75 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.398 -0.813 . . . . 0.0 110.329 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 1' ' ' ILE . 33.6 mt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.851 0.834 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.708 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.9 pt? -66.94 146.42 99.09 Favored Pre-proline 0 C--N 1.293 -1.887 0 O-C-N 121.68 -0.637 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -74.62 87.34 1.27 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 O-C-N 123.986 1.519 . . . . 0.0 110.291 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -167.77 -57.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 110.766 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mtpp -92.47 35.05 1.02 Allowed 'General case' 0 C--N 1.291 -1.956 0 O-C-N 121.813 -0.554 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -107.87 146.95 34.49 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.152 -0.967 . . . . 0.0 110.459 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 47.4 Cg_endo -75.03 103.64 1.77 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.154 1.607 . . . . 0.0 110.758 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 13.9 t90 -168.14 82.68 0.18 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.26 -0.9 . . . . 0.0 110.268 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.525 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -102.89 95.39 6.37 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.247 -0.908 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 11' ' ' TRP . 43.5 Cg_endo -70.82 89.17 0.64 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.949 1.499 . . . . 0.0 110.33 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.514 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -27.47 -61.39 0.1 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 121.578 0.704 . . . . 0.0 111.341 -179.316 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -39.6 124.99 1.73 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.73 -0.606 . . . . 0.0 110.469 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -86.68 105.82 17.19 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.343 -0.848 . . . . 0.0 109.814 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 2' ' ' LEU . 39.4 mt . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.34 0.59 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 3' ' ' PRO . 6.7 mt -111.53 132.61 21.76 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.586 ' HD2' HD23 ' A' ' 2' ' ' LEU . 44.6 Cg_endo -73.01 85.8 1.16 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.837 1.44 . . . . 0.0 110.282 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.23 -67.62 0.28 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.153 -0.967 . . . . 0.0 110.449 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -94.86 54.21 1.7 Allowed 'General case' 0 C--N 1.289 -2.032 0 O-C-N 121.834 -0.541 . . . . 0.0 110.508 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 5.6 t-105 -120.51 145.35 40.54 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.0 110.574 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.583 ' HD2' ' CD1' ' A' ' 6' ' ' TRP . 46.6 Cg_endo -89.55 127.76 1.67 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 O-C-N 124.122 1.59 . . . . 0.0 110.995 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 1.3 t90 179.49 100.59 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.295 -0.878 . . . . 0.0 110.09 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -108.28 76.32 0.63 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.337 -0.852 . . . . 0.0 109.845 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 44.2 Cg_endo -72.51 125.78 10.96 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 124.155 1.608 . . . . 0.0 110.411 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -33.53 -67.3 0.13 Allowed 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.523 0.678 . . . . 0.0 111.114 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -38.38 137.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.755 -0.59 . . . . 0.0 110.816 -179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.09 69.7 1.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.434 -0.791 . . . . 0.0 110.387 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.668 ' O ' HG22 ' A' ' 1' ' ' ILE . 22.4 mt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.925 0.869 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.6 OUTLIER -137.4 162.18 56.55 Favored Pre-proline 0 C--N 1.292 -1.906 0 O-C-N 121.714 -0.616 . . . . 0.0 110.27 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 47.5 Cg_endo -73.07 82.14 1.6 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 O-C-N 123.938 1.494 . . . . 0.0 110.517 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 2.2 t-105 -178.09 -47.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 110.543 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -104.77 65.21 0.75 Allowed 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.206 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.3 t-105 -79.62 148.24 69.06 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.607 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.4 Cg_endo -86.0 125.51 2.71 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 124.254 1.66 . . . . 0.0 110.496 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.458 ' C ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER 177.33 102.64 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 110.281 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -113.5 72.98 1.91 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 109.797 179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 12' ' ' ARG . 46.9 Cg_endo -74.18 64.38 5.26 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 O-C-N 123.97 1.511 . . . . 0.0 110.424 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -32.94 -65.22 0.17 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-O 121.489 0.661 . . . . 0.0 111.113 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -64.6 168.62 5.77 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.419 -0.801 . . . . 0.0 110.544 -179.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -105.67 -30.65 9.33 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.148 -0.97 . . . . 0.0 109.862 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.211 0.529 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.597 HD12 ' HD1' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -150.06 144.34 17.5 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.219 -0.926 . . . . 0.0 110.177 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.63 -11.72 24.29 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.018 1.536 . . . . 0.0 110.789 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -113.23 63.51 0.64 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' CG ' ' HG ' ' A' ' 2' ' ' LEU . 20.3 mtpt -87.22 -169.48 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.606 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.4 t-105 -67.28 148.43 98.75 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.181 -0.949 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 47.9 Cg_endo -85.41 124.27 2.74 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 O-C-N 124.335 1.703 . . . . 0.0 110.582 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' C ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -179.35 100.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.183 -0.948 . . . . 0.0 110.246 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -115.05 73.46 3.31 Favored Pre-proline 0 N--CA 1.487 1.401 0 O-C-N 121.307 -0.871 . . . . 0.0 109.648 179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.561 ' CB ' ' NH2' ' A' ' 12' ' ' ARG . 44.3 Cg_endo -72.84 68.7 3.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.116 1.587 . . . . 0.0 110.257 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -31.66 -65.15 0.14 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.488 0.661 . . . . 0.0 111.003 -179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.561 ' NH2' ' CB ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -69.82 -179.56 1.87 Allowed 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.457 -0.777 . . . . 0.0 110.351 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.23 -36.19 6.61 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.264 -0.897 . . . . 0.0 109.852 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 8.9 pt . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.349 0.595 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -143.53 153.96 59.32 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.393 -0.817 . . . . 0.0 109.994 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -74.72 92.65 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.018 1.536 . . . . 0.0 110.31 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -176.92 -47.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.208 -0.932 . . . . 0.0 110.657 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -91.96 52.03 1.92 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.341 0.591 . . . . 0.0 110.645 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.7 t-105 -110.28 147.85 37.17 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.186 -0.946 . . . . 0.0 110.463 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.608 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.1 Cg_endo -84.65 108.1 1.21 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 124.312 1.69 . . . . 0.0 110.464 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 14.4 t90 -172.27 98.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 0.0 110.204 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.13 94.68 3.41 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 110.141 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 41.3 Cg_endo -67.63 98.71 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.002 1.527 . . . . 0.0 110.414 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -38.84 -77.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.838 0.827 . . . . 0.0 110.699 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 tpm_? -67.42 108.98 2.99 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-O 121.324 0.583 . . . . 0.0 110.258 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.01 122.6 18.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.298 -0.876 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.896 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 1' ' ' ILE . 14.1 mm . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.714 0.768 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.6 mt -108.96 119.97 47.31 Favored Pre-proline 0 C--N 1.29 -1.984 0 O-C-N 121.931 -0.481 . . . . 0.0 110.105 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.87 159.89 47.25 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.962 1.506 . . . . 0.0 110.466 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -102.18 -89.15 0.38 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.198 -0.939 . . . . 0.0 110.432 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 109.29 11.25 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.468 -0.77 . . . . 0.0 110.1 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -81.82 142.52 48.94 Favored Pre-proline 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -77.22 75.32 4.68 Favored 'Trans proline' 0 C--N 1.303 -1.862 0 O-C-N 124.176 1.619 . . . . 0.0 110.443 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.0 t90 -138.07 49.44 1.94 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 110.432 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -41.66 100.67 0.23 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.109 -0.995 . . . . 0.0 110.436 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.4 Cg_endo -70.61 66.1 2.28 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.938 1.493 . . . . 0.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.0 -60.3 0.11 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.798 0.809 . . . . 0.0 111.293 -179.451 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 117.81 4.93 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.789 -0.569 . . . . 0.0 110.483 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.66 144.82 24.94 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.241 -0.912 . . . . 0.0 110.265 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 10.7 pt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.286 0.565 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mp -126.67 72.11 73.96 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.171 -0.956 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.6 5.61 4.17 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 124.044 1.55 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.74 5.37 22.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.073 -1.017 . . . . 0.0 110.344 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 165.92 12.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.206 -0.934 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.1 t-105 -48.83 148.62 3.66 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.613 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 45.7 Cg_endo -86.21 109.03 0.94 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 O-C-N 124.258 1.662 . . . . 0.0 110.51 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.474 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 23.6 t90 -167.85 43.96 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.88 106.04 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.28 -0.887 . . . . 0.0 110.375 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.2 Cg_endo -70.05 92.4 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.557 0 O-C-N 123.864 1.455 . . . . 0.0 110.475 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.84 -60.78 0.13 Allowed 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 121.403 0.62 . . . . 0.0 111.599 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -35.2 118.08 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.328 0.585 . . . . 0.0 110.92 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -108.23 82.79 1.68 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.336 -0.852 . . . . 0.0 109.945 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.238 0.542 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -140.77 164.81 33.94 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.33 -0.856 . . . . 0.0 110.093 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 2' ' ' LEU . 41.5 Cg_endo -70.8 82.13 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 O-C-N 123.802 1.422 . . . . 0.0 110.509 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' A' ' 3' ' ' PRO . 3.1 t-105 -178.43 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -144.13 19.92 1.76 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.3 -0.875 . . . . 0.0 110.103 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CD1' ' N ' ' A' ' 7' ' ' PRO . 4.7 t-105 -139.17 147.47 53.43 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.352 -0.842 . . . . 0.0 110.689 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' N ' ' CD1' ' A' ' 6' ' ' TRP . 46.3 Cg_endo -87.33 129.36 2.73 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.175 1.618 . . . . 0.0 110.713 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.482 ' O ' ' HD3' ' A' ' 10' ' ' PRO . 12.6 t90 -177.06 76.38 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.238 -0.914 . . . . 0.0 110.173 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -87.88 108.63 21.97 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.216 -0.928 . . . . 0.0 110.462 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 48.0 Cg_endo -72.61 150.73 51.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 O-C-N 123.87 1.458 . . . . 0.0 110.172 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.8 -59.99 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.33 0.586 . . . . 0.0 111.787 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -32.3 120.59 0.3 Allowed 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.407 0.622 . . . . 0.0 111.103 -179.108 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.34 170.74 9.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.341 -0.849 . . . . 0.0 110.105 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 2' ' ' LEU . 10.9 mt . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.193 0.52 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' A' ' 3' ' ' PRO . 10.0 mt -43.93 139.31 3.01 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.273 -0.892 . . . . 0.0 110.171 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.47 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . 45.9 Cg_endo -74.14 58.42 4.26 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.079 1.568 . . . . 0.0 110.548 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.75 -72.96 0.63 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 110.19 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -80.81 55.1 2.31 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 121.819 -0.551 . . . . 0.0 109.855 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -81.3 143.8 52.75 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.367 -0.833 . . . . 0.0 110.575 -179.667 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' TRP . 47.9 Cg_endo -77.51 137.9 16.9 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 O-C-N 124.091 1.574 . . . . 0.0 110.472 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 19.3 t90 178.71 101.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.307 -0.871 . . . . 0.0 110.169 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.506 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.9 OUTLIER -110.1 92.67 13.54 Favored Pre-proline 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 11' ' ' TRP . 45.1 Cg_endo -71.95 105.63 1.85 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 O-C-N 124.041 1.548 . . . . 0.0 110.139 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -29.36 -63.99 0.11 Allowed 'General case' 0 N--CA 1.503 2.218 0 CA-C-O 121.54 0.686 . . . . 0.0 111.264 -179.257 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.78 107.99 0.24 Allowed 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.658 -0.651 . . . . 0.0 110.104 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -101.77 109.19 20.9 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.265 -0.897 . . . . 0.0 109.95 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.728 HG23 ' N ' ' A' ' 2' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.143 0.497 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.745 HD23 ' HE1' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -110.47 100.9 46.85 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 110.415 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD2' ' CE2' ' A' ' 4' ' ' TRP . 50.1 Cg_endo -76.64 -1.69 11.82 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 124.135 1.597 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.745 ' HE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -112.73 34.55 4.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.135 -0.978 . . . . 0.0 110.68 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HG2' ' HB3' ' A' ' 2' ' ' LEU . 5.1 mmmt -96.1 53.09 1.33 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.073 -1.017 . . . . 0.0 110.138 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -127.21 140.12 37.01 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.153 -0.967 . . . . 0.0 110.674 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -74.77 116.23 4.54 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.171 1.616 . . . . 0.0 110.289 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -174.13 99.71 0.1 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.264 -0.898 . . . . 0.0 110.128 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -116.95 73.52 6.46 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.162 -0.961 . . . . 0.0 110.099 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -74.34 158.62 44.5 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 123.893 1.47 . . . . 0.0 110.17 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -64.9 -26.22 68.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.26 -0.9 . . . . 0.0 110.492 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' ARG . 1.4 tmm_? -125.49 -157.23 0.77 Allowed 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.966 0.889 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ARG . 4.0 ttp180 -35.99 -43.62 0.33 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.723 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.602 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.263 0.554 . . . . 0.0 110.028 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.747 HD21 ' NZ ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -114.77 129.89 24.61 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.308 -0.87 . . . . 0.0 109.685 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.65 ' N ' HD12 ' A' ' 2' ' ' LEU . 46.0 Cg_endo -73.1 95.08 0.82 Allowed 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.911 1.48 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.623 ' HB2' HD11 ' A' ' 2' ' ' LEU . 1.5 t-105 -178.79 -46.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.296 -0.878 . . . . 0.0 110.423 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.747 ' NZ ' HD21 ' A' ' 2' ' ' LEU . 5.3 mptt -88.74 115.21 26.11 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.327 0.584 . . . . 0.0 110.208 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.494 ' CE3' ' HD2' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -102.6 147.4 33.99 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.165 -0.959 . . . . 0.0 110.378 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' HD2' ' CE3' ' A' ' 6' ' ' TRP . 46.5 Cg_endo -74.68 76.55 3.23 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.104 1.581 . . . . 0.0 110.351 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' O ' ' CG ' ' A' ' 8' ' ' TRP . 23.6 t90 -125.07 46.87 2.25 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.263 -0.898 . . . . 0.0 110.47 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.468 ' N ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -49.25 105.13 0.47 Allowed Pre-proline 0 C--N 1.303 -1.454 0 O-C-N 121.097 -1.002 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 8' ' ' TRP . 43.2 Cg_endo -69.66 -158.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 O-C-N 123.907 1.477 . . . . 0.0 110.367 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.85 -65.9 0.97 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.12 -0.987 . . . . 0.0 110.279 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -120.62 -175.33 3.0 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.429 -0.794 . . . . 0.0 110.304 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 2.5 ttm180 -108.75 90.14 3.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.738 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.384 0.612 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.18 69.8 2.13 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.265 -0.897 . . . . 0.0 110.104 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -74.55 1.46 7.45 Favored 'Trans proline' 0 C--N 1.303 -1.837 0 O-C-N 124.078 1.567 . . . . 0.0 110.555 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -109.59 40.25 1.92 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.63 68.48 7.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.175 -0.953 . . . . 0.0 110.237 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.2 136.57 23.04 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.983 . . . . 0.0 110.421 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -75.14 132.65 15.47 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 O-C-N 124.075 1.566 . . . . 0.0 110.04 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.54 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.983 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.531 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -118.5 82.06 18.86 Favored Pre-proline 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 0.0 109.701 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 11' ' ' TRP . 46.8 Cg_endo -73.35 79.54 2.1 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 O-C-N 124.099 1.579 . . . . 0.0 110.511 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' C ' ' O ' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -28.73 -60.92 0.12 Allowed 'General case' 0 N--CA 1.504 2.272 0 CA-C-O 121.803 0.811 . . . . 0.0 111.108 -179.618 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' O ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.28 117.85 1.52 Allowed 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.727 -0.608 . . . . 0.0 110.087 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 2.0 ttm180 -105.14 84.21 2.09 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.267 -0.896 . . . . 0.0 109.894 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_