data_1d6x_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 1d6x _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' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.75 0.31 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -138.12 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -175.07 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 16.8 p90 -34.73 96.81 0.11 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.465 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 52.3 Cg_endo -66.58 -148.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.077 1.851 . . . . 0.0 111.34 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.568 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.66 14.08 11.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.0 p-90 -134.27 1.98 3.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.968 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.878 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.84 -31.96 1.96 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.878 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.83 -33.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 123.208 2.605 . . . . 0.0 113.455 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.51 -39.87 27.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.545 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.631 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 2.3 pp -72.72 147.41 45.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.16 -69.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -116.71 171.88 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 17.5 ttm180 -130.27 72.83 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.756 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.5 92.66 0.05 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 112.747 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.655 ' O ' ' HE3' ' A' ' 8' ' ' TRP . 71.9 Cg_endo -76.51 130.6 11.91 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.324 2.016 . . . . 0.0 112.235 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -34.85 -29.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' PRO . 66.6 p-90 -98.65 13.27 32.67 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.848 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -77.98 -32.02 0.85 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.848 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -39.91 -38.49 1.95 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.862 2.375 . . . . 0.0 113.687 -177.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.82 5.35 21.92 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.52 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.06 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 129.53 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.756 0.312 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.38 -177.56 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -138.6 66.52 1.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.03 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 5.8 p90 -35.53 96.89 0.11 Allowed Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 54.8 Cg_endo -67.51 -149.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.155 1.903 . . . . 0.0 111.487 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 12.88 12.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.8 p-90 -133.36 2.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.945 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.857 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.84 -32.43 2.47 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.857 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -35.0 -31.93 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.142 2.561 . . . . 0.0 113.943 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -85.74 -23.12 27.44 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.61 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pp -89.51 26.83 1.61 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.544 0.211 . . . . 0.0 111.46 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.45 166.94 23.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.798 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.882 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.875 0.369 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 167.79 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -114.93 -15.74 11.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.352 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.635 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.83 95.87 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-O 121.355 0.597 . . . . 0.0 112.443 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.8 Cg_endo -68.69 -147.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.144 1.896 . . . . 0.0 111.412 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.28 9.58 11.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.7 p-90 -128.89 1.48 5.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.872 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.39 -32.83 2.88 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.9 Cg_exo -36.59 -31.73 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 122.941 2.428 . . . . 0.0 112.979 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' TRP . 27.2 m-85 -81.76 -41.97 20.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.967 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 8' ' ' TRP . 1.4 pp -61.35 122.13 14.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.772 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.14 170.35 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.854 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.94 144.14 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -175.15 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 8' ' ' TRP . 13.4 p90 -51.95 142.31 26.25 Favored Pre-proline 0 N--CA 1.439 -0.986 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 70.9 Cg_endo -70.54 -143.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.526 2.151 . . . . 0.0 111.593 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -124.6 5.65 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.439 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 67.2 p-90 -121.94 0.59 9.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.883 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -67.87 -31.73 3.65 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.587 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.883 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.13 -33.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 123.297 2.665 . . . . 0.0 113.78 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.88 24.77 6.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.01 179.53 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.008 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.97 -67.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.344 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -73.35 155.33 39.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -107.19 88.5 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.651 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 4.2 p90 -34.93 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.346 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.567 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.7 Cg_endo -69.8 -147.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 111.487 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.97 9.83 10.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -128.73 0.83 5.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.85 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.19 -33.45 3.4 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.856 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.85 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.2 Cg_exo -36.66 -50.06 1.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.303 2.668 . . . . 0.0 114.073 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.36 -8.98 36.93 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -52.75 -178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 34.05 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.786 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.895 0.379 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -52.61 163.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 27.3 tpt180 -96.35 39.07 1.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.818 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -35.03 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.542 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.88 -150.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.155 1.903 . . . . 0.0 111.357 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -118.28 14.76 13.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -136.38 3.18 2.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.077 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.863 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.12 -32.01 1.89 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.85 -32.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 123.173 2.582 . . . . 0.0 113.589 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.3 m-85 -85.56 -38.95 17.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.179 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pp -66.01 163.45 17.26 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.141 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.16 35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -60.02 179.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -139.86 53.48 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.5 p90 -34.9 95.9 0.1 OUTLIER Pre-proline 0 N--CA 1.45 -0.45 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -68.72 -149.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.285 1.99 . . . . 0.0 111.442 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.44 12.27 12.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -132.94 2.66 3.68 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.988 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.859 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.26 -31.38 1.91 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.515 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.859 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -33.86 -32.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.096 2.531 . . . . 0.0 113.674 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' TRP . 8.5 m-85 -102.18 -23.59 14.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.723 0.297 . . . . 0.0 111.329 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -62.88 -14.93 52.34 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.561 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' N ' HD21 ' A' ' 11' ' ' LEU . 18.6 mtp180 -129.54 -61.54 1.01 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.807 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.69 160.99 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.32 11.64 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.323 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.621 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.3 p90 -35.71 96.33 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-O 121.261 0.553 . . . . 0.0 112.472 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.4 Cg_endo -68.92 -147.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.178 1.919 . . . . 0.0 111.516 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.54 9.36 10.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -129.37 2.03 5.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.854 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.05 -32.48 2.89 Favored Pre-proline 0 N--CA 1.448 -0.535 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.905 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.854 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.05 -31.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.326 2.684 . . . . 0.0 114.097 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.1 m-85 -117.66 -10.31 10.59 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -61.1 179.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.461 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -139.15 66.95 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.716 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -108.44 161.52 14.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 ttt85 -108.41 59.65 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.67 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -34.76 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.574 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.8 Cg_endo -69.58 -147.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.238 1.958 . . . . 0.0 111.428 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.526 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.38 9.08 10.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -128.92 2.61 5.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.844 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -33.05 2.48 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.844 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.0 Cg_exo -35.04 -49.08 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.324 2.683 . . . . 0.0 114.033 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -68.56 -9.98 52.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' HB2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -48.45 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -76.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.928 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.93 160.97 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.249 0.547 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -96.98 42.46 1.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 5.0 p90 -34.94 95.82 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.669 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.5 -150.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.125 1.884 . . . . 0.0 111.439 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.2 15.43 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.411 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.9 p-90 -136.52 2.71 2.73 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.954 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -31.61 1.72 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.866 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -34.79 -32.22 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.28 2.653 . . . . 0.0 113.607 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' TRP . 38.5 m-85 -84.67 -37.94 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.928 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.625 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pp -69.85 -14.56 62.81 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.509 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -86.84 -37.37 17.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.982 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.11 169.94 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -141.2 68.48 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.787 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.8 p90 -34.73 95.22 0.08 OUTLIER Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 112.656 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.583 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.7 Cg_endo -69.06 -149.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.257 1.972 . . . . 0.0 111.436 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.01 13.91 13.09 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 67.6 p-90 -134.96 2.84 3.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.999 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.881 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.95 -31.58 1.8 Allowed Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.881 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.2 Cg_exo -34.73 -32.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.275 2.65 . . . . 0.0 113.571 -178.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 60.2 m-85 -84.8 -38.56 19.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.002 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.623 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.9 pp -68.36 168.62 12.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.053 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 124.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.745 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -176.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.2 30.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.626 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 p90 -34.93 95.73 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.567 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.575 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.9 Cg_endo -69.15 -148.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.283 1.988 . . . . 0.0 111.48 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.16 10.3 11.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.406 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -130.3 2.67 4.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.787 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.865 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -31.52 1.92 Allowed Pre-proline 0 N--CA 1.449 -0.487 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.865 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.8 -33.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.225 2.617 . . . . 0.0 113.392 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.27 -39.68 22.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.751 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.616 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pp -70.26 173.62 6.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.013 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -175.14 145.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -71.83 144.97 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 0.0 111.009 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 2.0 ttt180 -78.18 78.97 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.974 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.81 95.65 0.09 OUTLIER Pre-proline 0 N--CA 1.45 -0.47 0 CA-C-O 121.394 0.616 . . . . 0.0 112.314 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -68.05 -149.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.239 1.959 . . . . 0.0 111.464 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.25 11.72 12.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.1 p-90 -132.93 3.12 3.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.899 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.867 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.9 -32.83 2.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.8 Cg_exo -35.0 -33.88 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 123.28 2.653 . . . . 0.0 113.28 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -81.45 -40.08 23.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.794 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pp -71.0 146.13 49.6 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.898 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.9 -47.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -159.21 131.98 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.549 . . . . 0.0 111.021 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 9.9 ttp180 -68.98 70.41 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -34.87 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.3 Cg_endo -69.62 -146.22 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.293 1.995 . . . . 0.0 111.425 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -121.52 7.75 10.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.43 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 64.2 p-90 -127.25 1.96 6.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.707 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.859 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.35 -32.08 2.56 Favored Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.859 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.9 Cg_exo -34.41 -32.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.3 2.667 . . . . 0.0 113.89 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.8 23.38 8.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -94.89 -8.71 36.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.551 0.215 . . . . 0.0 111.547 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.4 -26.73 7.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.199 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.06 170.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 44.33 2.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.684 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 2.4 p90 -34.88 96.19 0.1 Allowed Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.45 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.0 Cg_endo -69.7 -147.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.428 2.085 . . . . 0.0 111.708 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -120.64 8.04 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.443 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -127.46 3.51 6.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.596 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.883 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -70.41 -30.7 1.95 Allowed Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.883 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.1 Cg_exo -34.54 -33.61 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.3 2.667 . . . . 0.0 113.278 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -79.58 -39.41 31.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.629 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 8' ' ' TRP . 2.1 pp -72.42 -14.62 61.74 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -89.2 161.46 16.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.38 174.22 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 14.0 p90 -34.91 96.61 0.11 Allowed Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-O 121.265 0.555 . . . . 0.0 112.315 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.541 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 48.5 Cg_endo -66.76 -149.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.127 1.885 . . . . 0.0 111.383 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 14.79 12.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.417 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.0 p-90 -135.69 2.36 2.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.47 -32.39 2.22 Favored Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.866 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.84 -31.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.016 2.477 . . . . 0.0 113.775 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.31 -25.09 29.53 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.4 pp -87.94 38.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.439 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -81.38 164.32 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.777 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.962 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 154.02 21.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.38 17.2 9.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.629 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 p90 -35.44 96.15 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.9 Cg_endo -69.31 -147.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.254 1.969 . . . . 0.0 111.468 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.98 9.73 10.66 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.416 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -129.16 1.5 5.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.872 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.17 -32.05 2.62 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -34.54 -32.21 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.171 2.581 . . . . 0.0 113.839 -178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.01 23.42 8.54 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.91 -0.62 55.57 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.578 0.227 . . . . 0.0 111.475 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 157.31 5.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.043 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.938 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.833 0.349 . . . . 5.14 111.061 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 8.34 110.841 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.52 29.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 7.36 111.131 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 14.0 p90 -38.65 98.7 0.17 Allowed Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 121.208 0.528 . . . . 3.68 112.009 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 34.6 Cg_endo -63.64 -87.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.351 2.034 . . . . 3.09 113.339 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' PRO . 2.9 p-90 -175.33 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.044 -1.095 . . . . 7.55 108.044 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.443 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 59.2 p-90 -89.29 -1.58 58.12 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.763 -1.108 . . . . 4.13 109.607 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.888 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -65.48 -32.99 6.84 Favored Pre-proline 0 N--CA 1.449 -0.516 0 N-CA-C 111.803 0.297 . . . . 3.62 111.803 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.888 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.05 -33.63 0.09 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 123.067 2.511 . . . . 3.23 113.032 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 21.0 m-85 -79.59 -42.38 25.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 4.16 111.77 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 8' ' ' TRP . 2.0 pp -64.83 136.06 56.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.63 -0.428 . . . . 2.95 110.644 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.78 161.61 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 8.02 110.974 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 7.8 110.938 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.75 0.31 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -138.12 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -175.07 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 16.8 p90 -34.73 96.81 0.11 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.465 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 52.3 Cg_endo -66.58 -148.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.077 1.851 . . . . 0.0 111.34 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.568 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.66 14.08 11.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.456 ' CZ3' HD23 ' A' ' 11' ' ' LEU . 67.0 p-90 -134.27 1.98 3.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.968 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.892 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.84 -31.96 1.96 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.83 -33.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 123.208 2.605 . . . . 0.0 113.455 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.51 -39.87 27.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.545 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.3 pp -72.72 147.41 45.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.16 -69.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -116.71 171.88 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 17.5 ttm180 -130.27 72.83 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.756 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.5 92.66 0.05 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 112.747 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.655 ' O ' ' HE3' ' A' ' 8' ' ' TRP . 71.9 Cg_endo -76.51 130.6 11.91 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.324 2.016 . . . . 0.0 112.235 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -34.85 -29.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' PRO . 66.6 p-90 -98.65 13.27 32.67 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.863 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -77.98 -32.02 0.85 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -39.91 -38.49 1.95 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.862 2.375 . . . . 0.0 113.687 -177.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.82 5.35 21.92 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.52 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.06 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 129.53 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.756 0.312 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.38 -177.56 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -138.6 66.52 1.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.03 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 5.8 p90 -35.53 96.89 0.11 Allowed Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 54.8 Cg_endo -67.51 -149.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.155 1.903 . . . . 0.0 111.487 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 12.88 12.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.8 p-90 -133.36 2.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.945 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.867 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.84 -32.43 2.47 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -35.0 -31.93 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.142 2.561 . . . . 0.0 113.943 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -85.74 -23.12 27.44 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pp -89.51 26.83 1.61 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.544 0.211 . . . . 0.0 111.46 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.45 166.94 23.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.798 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.882 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.875 0.369 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 167.79 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -114.93 -15.74 11.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.352 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.83 95.87 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-O 121.355 0.597 . . . . 0.0 112.443 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.8 Cg_endo -68.69 -147.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.144 1.896 . . . . 0.0 111.412 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.28 9.58 11.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.7 p-90 -128.89 1.48 5.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.873 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.39 -32.83 2.88 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.9 Cg_exo -36.59 -31.73 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 122.941 2.428 . . . . 0.0 112.979 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' TRP . 27.2 m-85 -81.76 -41.97 20.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.967 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 pp -61.35 122.13 14.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.772 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.14 170.35 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.854 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.94 144.14 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -175.15 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 8' ' ' TRP . 13.4 p90 -51.95 142.31 26.25 Favored Pre-proline 0 N--CA 1.439 -0.986 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 70.9 Cg_endo -70.54 -143.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.526 2.151 . . . . 0.0 111.593 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -124.6 5.65 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.2 p-90 -121.94 0.59 9.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.899 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -67.87 -31.73 3.65 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.587 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.899 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.13 -33.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 123.297 2.665 . . . . 0.0 113.78 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.88 24.77 6.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.01 179.53 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.008 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.97 -67.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 2' ' ' ARG . 21.2 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.344 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 1' ' ' VAL . 9.8 ptt180 -73.35 155.33 39.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.19 88.5 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.651 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 4.2 p90 -34.93 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.346 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.7 Cg_endo -69.8 -147.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 111.487 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.97 9.83 10.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -128.73 0.83 5.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.862 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.19 -33.45 3.4 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.856 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.862 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.2 Cg_exo -36.66 -50.06 1.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.303 2.668 . . . . 0.0 114.073 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.36 -8.98 36.93 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -52.75 -178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 34.05 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.786 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.895 0.379 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -52.61 163.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -96.35 39.07 1.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.818 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -35.03 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.542 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.88 -150.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.155 1.903 . . . . 0.0 111.357 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -118.28 14.76 13.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.8 p-90 -136.38 3.18 2.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.077 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.884 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.12 -32.01 1.89 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.85 -32.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 123.173 2.582 . . . . 0.0 113.589 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.3 m-85 -85.56 -38.95 17.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.179 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pp -66.01 163.45 17.26 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.141 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.16 35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -60.02 179.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -139.86 53.48 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.5 p90 -34.9 95.9 0.1 OUTLIER Pre-proline 0 N--CA 1.45 -0.45 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -68.72 -149.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.285 1.99 . . . . 0.0 111.442 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.44 12.27 12.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.404 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -132.94 2.66 3.68 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.988 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.877 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.26 -31.38 1.91 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.515 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -33.86 -32.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.096 2.531 . . . . 0.0 113.674 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' TRP . 8.5 m-85 -102.18 -23.59 14.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.723 0.297 . . . . 0.0 111.329 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -62.88 -14.93 52.34 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.561 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 11' ' ' LEU . 18.6 mtp180 -129.54 -61.54 1.01 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.807 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 2' ' ' ARG . 9.8 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' N ' HG22 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -109.69 160.99 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.32 11.64 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.323 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.621 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.3 p90 -35.71 96.33 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-O 121.261 0.553 . . . . 0.0 112.472 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.567 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 57.4 Cg_endo -68.92 -147.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.178 1.919 . . . . 0.0 111.516 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.54 9.36 10.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.669 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -129.37 2.03 5.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.869 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.05 -32.48 2.89 Favored Pre-proline 0 N--CA 1.448 -0.535 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.905 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.869 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.05 -31.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.326 2.684 . . . . 0.0 114.097 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.1 m-85 -117.66 -10.31 10.59 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -61.1 179.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.461 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -139.15 66.95 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.716 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -108.44 161.52 14.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 ttt85 -108.41 59.65 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.67 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -34.76 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.8 Cg_endo -69.58 -147.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.238 1.958 . . . . 0.0 111.428 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.526 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.38 9.08 10.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -128.92 2.61 5.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.857 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -33.05 2.48 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.857 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.0 Cg_exo -35.04 -49.08 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.324 2.683 . . . . 0.0 114.033 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -68.56 -9.98 52.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -48.45 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -76.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.928 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 2' ' ' ARG . 12.2 p . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.479 ' N ' HG22 ' A' ' 1' ' ' VAL . 16.2 ptp180 -95.93 160.97 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.249 0.547 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -96.98 42.46 1.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 5.0 p90 -34.94 95.82 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.669 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.5 -150.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.125 1.884 . . . . 0.0 111.439 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.2 15.43 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.9 p-90 -136.52 2.71 2.73 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.954 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.884 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -31.61 1.72 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -34.79 -32.22 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.28 2.653 . . . . 0.0 113.607 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' TRP . 38.5 m-85 -84.67 -37.94 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.928 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.0 pp -69.85 -14.56 62.81 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.509 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.6 ptm180 -86.84 -37.37 17.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.982 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.11 169.94 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -141.2 68.48 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.787 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.8 p90 -34.73 95.22 0.08 OUTLIER Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 112.656 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.7 Cg_endo -69.06 -149.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.257 1.972 . . . . 0.0 111.436 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.01 13.91 13.09 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.6 p-90 -134.96 2.84 3.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.999 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.891 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.95 -31.58 1.8 Allowed Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.891 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.2 Cg_exo -34.73 -32.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.275 2.65 . . . . 0.0 113.571 -178.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 60.2 m-85 -84.8 -38.56 19.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.002 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.9 pp -68.36 168.62 12.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.053 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 124.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.745 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -176.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.2 30.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.7 p90 -34.93 95.73 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.567 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.9 Cg_endo -69.15 -148.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.283 1.988 . . . . 0.0 111.48 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.16 10.3 11.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -130.3 2.67 4.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.787 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.871 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -31.52 1.92 Allowed Pre-proline 0 N--CA 1.449 -0.487 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.8 -33.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.225 2.617 . . . . 0.0 113.392 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.27 -39.68 22.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.751 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pp -70.26 173.62 6.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.013 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -175.14 145.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -71.83 144.97 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 0.0 111.009 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -78.18 78.97 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.974 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.81 95.65 0.09 OUTLIER Pre-proline 0 N--CA 1.45 -0.47 0 CA-C-O 121.394 0.616 . . . . 0.0 112.314 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.546 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -68.05 -149.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.239 1.959 . . . . 0.0 111.464 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.25 11.72 12.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.1 p-90 -132.93 3.12 3.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.899 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.921 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.9 -32.83 2.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.8 Cg_exo -35.0 -33.88 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 123.28 2.653 . . . . 0.0 113.28 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -81.45 -40.08 23.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.794 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.921 HD11 ' HB2' ' A' ' 8' ' ' TRP . 1.5 pp -71.0 146.13 49.6 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.898 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.9 -47.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 2' ' ' ARG . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 1' ' ' VAL . 8.3 mtt-85 -159.21 131.98 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.549 . . . . 0.0 111.021 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -68.98 70.41 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -34.87 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.3 Cg_endo -69.62 -146.22 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.293 1.995 . . . . 0.0 111.425 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -121.52 7.75 10.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 64.2 p-90 -127.25 1.96 6.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.707 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.35 -32.08 2.56 Favored Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.88 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.9 Cg_exo -34.41 -32.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.3 2.667 . . . . 0.0 113.89 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.8 23.38 8.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -94.89 -8.71 36.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.551 0.215 . . . . 0.0 111.547 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.4 -26.73 7.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.199 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.06 170.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 44.33 2.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.684 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 2.4 p90 -34.88 96.19 0.1 Allowed Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.45 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.0 Cg_endo -69.7 -147.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.428 2.085 . . . . 0.0 111.708 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -120.64 8.04 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.447 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -127.46 3.51 6.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.596 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.905 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -70.41 -30.7 1.95 Allowed Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.1 Cg_exo -34.54 -33.61 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.3 2.667 . . . . 0.0 113.278 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -79.58 -39.41 31.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.629 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.1 pp -72.42 -14.62 61.74 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.693 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.3 tpt180 -89.2 161.46 16.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 1' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.38 174.22 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 14.0 p90 -34.91 96.61 0.11 Allowed Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-O 121.265 0.555 . . . . 0.0 112.315 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 48.5 Cg_endo -66.76 -149.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.127 1.885 . . . . 0.0 111.383 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 14.79 12.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.438 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.0 p-90 -135.69 2.36 2.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.883 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.47 -32.39 2.22 Favored Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.883 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.84 -31.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.016 2.477 . . . . 0.0 113.775 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.31 -25.09 29.53 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.4 pp -87.94 38.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.439 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -81.38 164.32 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.777 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.962 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 154.02 21.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.38 17.2 9.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.629 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 p90 -35.44 96.15 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.9 Cg_endo -69.31 -147.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.254 1.969 . . . . 0.0 111.468 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.98 9.73 10.66 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -129.16 1.5 5.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.881 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.17 -32.05 2.62 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.881 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -34.54 -32.21 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.171 2.581 . . . . 0.0 113.839 -178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.01 23.42 8.54 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.91 -0.62 55.57 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.578 0.227 . . . . 0.0 111.475 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.87 157.31 5.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.043 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.938 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.833 0.349 . . . . 4.73 111.061 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 7.63 110.841 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.52 29.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 6.67 111.131 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 14.0 p90 -38.65 98.7 0.17 Allowed Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 121.208 0.528 . . . . 3.17 112.009 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 34.6 Cg_endo -63.64 -87.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.351 2.034 . . . . 2.82 113.339 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' PRO . 2.9 p-90 -175.33 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.044 -1.095 . . . . 7.0 108.044 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 59.2 p-90 -89.29 -1.58 58.12 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.763 -1.108 . . . . 3.8 109.607 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -65.48 -32.99 6.84 Favored Pre-proline 0 N--CA 1.449 -0.516 0 N-CA-C 111.803 0.297 . . . . 3.04 111.803 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.894 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.05 -33.63 0.09 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 123.067 2.511 . . . . 2.67 113.032 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 21.0 m-85 -79.59 -42.38 25.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 3.34 111.77 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -64.83 136.06 56.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.63 -0.428 . . . . 2.95 110.644 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.78 161.61 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 7.34 110.974 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 7.16 110.938 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.75 0.31 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -138.12 137.2 37.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -175.07 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 16.8 p90 -34.73 96.81 0.11 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.465 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 52.3 Cg_endo -66.58 -148.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.077 1.851 . . . . 0.0 111.34 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.568 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.66 14.08 11.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.456 ' CZ3' HD23 ' A' ' 11' ' ' LEU . 67.0 p-90 -134.27 1.98 3.25 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.968 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.892 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.84 -31.96 1.96 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.83 -33.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 123.208 2.605 . . . . 0.0 113.455 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -80.51 -39.87 27.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.545 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.3 pp -72.72 147.41 45.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.16 -69.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -116.71 171.88 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 17.5 ttm180 -130.27 72.83 1.5 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.756 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.5 92.66 0.05 OUTLIER Pre-proline 0 N--CA 1.45 -0.456 0 C-N-CA 123.419 0.688 . . . . 0.0 112.747 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.655 ' O ' ' HE3' ' A' ' 8' ' ' TRP . 71.9 Cg_endo -76.51 130.6 11.91 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.324 2.016 . . . . 0.0 112.235 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -34.85 -29.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' PRO . 66.6 p-90 -98.65 13.27 32.67 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.863 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -77.98 -32.02 0.85 Allowed Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -39.91 -38.49 1.95 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.862 2.375 . . . . 0.0 113.687 -177.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -82.82 5.35 21.92 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.52 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.06 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.18 129.53 21.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.756 0.312 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.38 -177.56 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -138.6 66.52 1.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.03 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 5.8 p90 -35.53 96.89 0.11 Allowed Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 54.8 Cg_endo -67.51 -149.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.155 1.903 . . . . 0.0 111.487 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 12.88 12.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.8 p-90 -133.36 2.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.945 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.867 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.84 -32.43 2.47 Favored Pre-proline 0 N--CA 1.448 -0.561 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.867 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -35.0 -31.93 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.142 2.561 . . . . 0.0 113.943 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -85.74 -23.12 27.44 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.635 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pp -89.51 26.83 1.61 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.544 0.211 . . . . 0.0 111.46 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.45 166.94 23.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 110.798 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.882 -179.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.875 0.369 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 167.79 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -114.93 -15.74 11.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.352 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.635 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.83 95.87 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-O 121.355 0.597 . . . . 0.0 112.443 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.8 Cg_endo -68.69 -147.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.144 1.896 . . . . 0.0 111.412 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.28 9.58 11.07 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.7 p-90 -128.89 1.48 5.36 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.873 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.39 -32.83 2.88 Favored Pre-proline 0 N--CA 1.448 -0.555 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.873 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.9 Cg_exo -36.59 -31.73 0.11 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 122.941 2.428 . . . . 0.0 112.979 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' TRP . 27.2 m-85 -81.76 -41.97 20.46 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.967 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 11' ' ' LEU . 1.4 pp -61.35 122.13 14.35 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.772 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.14 170.35 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.854 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.761 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.94 144.14 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -175.15 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.545 ' CD1' ' CZ3' ' A' ' 8' ' ' TRP . 13.4 p90 -51.95 142.31 26.25 Favored Pre-proline 0 N--CA 1.439 -0.986 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 70.9 Cg_endo -70.54 -143.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.526 2.151 . . . . 0.0 111.593 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -124.6 5.65 8.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.2 p-90 -121.94 0.59 9.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.061 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.899 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -67.87 -31.73 3.65 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.587 179.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.899 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.13 -33.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 123.297 2.665 . . . . 0.0 113.78 -178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.88 24.77 6.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.01 179.53 5.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.858 0.361 . . . . 0.0 111.008 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.97 -67.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 2' ' ' ARG . 21.2 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.821 0.344 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 1' ' ' VAL . 9.8 ptt180 -73.35 155.33 39.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.19 88.5 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.651 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 4.2 p90 -34.93 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.452 -0.346 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.7 Cg_endo -69.8 -147.33 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.277 1.985 . . . . 0.0 111.487 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.97 9.83 10.68 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -128.73 0.83 5.45 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.689 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.862 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.19 -33.45 3.4 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.856 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.862 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.2 Cg_exo -36.66 -50.06 1.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 123.303 2.668 . . . . 0.0 114.073 -178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -67.36 -8.98 36.93 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -52.75 -178.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 34.05 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.786 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.895 0.379 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -52.61 163.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.316 0.579 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -96.35 39.07 1.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.818 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -35.03 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.542 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.88 -150.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.155 1.903 . . . . 0.0 111.357 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -118.28 14.76 13.92 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.8 p-90 -136.38 3.18 2.81 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.077 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.884 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.12 -32.01 1.89 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 179.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.85 -32.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 123.173 2.582 . . . . 0.0 113.589 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.3 m-85 -85.56 -38.95 17.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.179 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pp -66.01 163.45 17.26 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.141 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.16 35.06 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -60.02 179.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -139.86 53.48 1.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.5 p90 -34.9 95.9 0.1 OUTLIER Pre-proline 0 N--CA 1.45 -0.45 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -68.72 -149.19 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.285 1.99 . . . . 0.0 111.442 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.44 12.27 12.38 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.404 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -132.94 2.66 3.68 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.988 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.877 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.26 -31.38 1.91 Allowed Pre-proline 0 N--CA 1.449 -0.488 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.515 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -33.86 -32.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.096 2.531 . . . . 0.0 113.674 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' TRP . 8.5 m-85 -102.18 -23.59 14.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.723 0.297 . . . . 0.0 111.329 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -62.88 -14.93 52.34 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.561 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 11' ' ' LEU . 18.6 mtp180 -129.54 -61.54 1.01 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.807 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 2' ' ' ARG . 9.8 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' N ' HG22 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -109.69 160.99 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.32 11.64 3.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.323 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.621 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 1.3 p90 -35.71 96.33 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-O 121.261 0.553 . . . . 0.0 112.472 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.567 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 57.4 Cg_endo -68.92 -147.71 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.178 1.919 . . . . 0.0 111.516 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.54 9.36 10.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.3 p-90 -129.37 2.03 5.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.869 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.05 -32.48 2.89 Favored Pre-proline 0 N--CA 1.448 -0.535 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.905 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.869 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.8 Cg_exo -34.05 -31.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 123.326 2.684 . . . . 0.0 114.097 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.1 m-85 -117.66 -10.31 10.59 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -61.1 179.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.461 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -139.15 66.95 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.716 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.768 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -108.44 161.52 14.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 ttt85 -108.41 59.65 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.67 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -34.76 95.14 0.08 OUTLIER Pre-proline 0 N--CA 1.451 -0.396 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.8 Cg_endo -69.58 -147.77 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.238 1.958 . . . . 0.0 111.428 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.526 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.38 9.08 10.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -128.92 2.61 5.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.857 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -33.05 2.48 Favored Pre-proline 0 N--CA 1.448 -0.537 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 179.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.857 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.0 Cg_exo -35.04 -49.08 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.324 2.683 . . . . 0.0 114.033 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -68.56 -9.98 52.92 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -48.45 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 111.242 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -76.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.928 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 2' ' ' ARG . 12.2 p . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.838 0.351 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.479 ' N ' HG22 ' A' ' 1' ' ' VAL . 16.2 ptp180 -95.93 160.97 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.249 0.547 . . . . 0.0 111.051 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -96.98 42.46 1.09 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.921 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 5.0 p90 -34.94 95.82 0.09 OUTLIER Pre-proline 0 N--CA 1.449 -0.512 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.669 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 55.2 Cg_endo -67.5 -150.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.125 1.884 . . . . 0.0 111.439 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.2 15.43 13.14 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.9 p-90 -136.52 2.71 2.73 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.954 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.884 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -72.29 -31.61 1.72 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.1 Cg_exo -34.79 -32.22 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.28 2.653 . . . . 0.0 113.607 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' TRP . 38.5 m-85 -84.67 -37.94 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.928 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.0 pp -69.85 -14.56 62.81 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.509 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.6 ptm180 -86.84 -37.37 17.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.982 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.789 0.328 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.11 169.94 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -141.2 68.48 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.787 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.622 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.8 p90 -34.73 95.22 0.08 OUTLIER Pre-proline 0 N--CA 1.45 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 112.656 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.7 Cg_endo -69.06 -149.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.257 1.972 . . . . 0.0 111.436 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.01 13.91 13.09 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 67.6 p-90 -134.96 2.84 3.14 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.999 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.891 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.95 -31.58 1.8 Allowed Pre-proline 0 N--CA 1.448 -0.548 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 179.738 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.891 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.2 Cg_exo -34.73 -32.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.155 0 C-N-CA 123.275 2.65 . . . . 0.0 113.571 -178.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 60.2 m-85 -84.8 -38.56 19.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.002 -179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.9 pp -68.36 168.62 12.19 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.053 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.05 124.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.745 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -176.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.2 30.51 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 3.7 p90 -34.93 95.73 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.567 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 57.9 Cg_endo -69.15 -148.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.283 1.988 . . . . 0.0 111.48 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -120.16 10.3 11.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -130.3 2.67 4.67 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.787 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.871 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.44 -31.52 1.92 Allowed Pre-proline 0 N--CA 1.449 -0.487 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.5 Cg_exo -34.8 -33.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 123.225 2.617 . . . . 0.0 113.392 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -82.27 -39.68 22.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.751 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.643 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pp -70.26 173.62 6.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 111.013 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -175.14 145.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -71.83 144.97 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 0.0 111.009 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -78.18 78.97 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.974 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -34.81 95.65 0.09 OUTLIER Pre-proline 0 N--CA 1.45 -0.47 0 CA-C-O 121.394 0.616 . . . . 0.0 112.314 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.546 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -68.05 -149.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.239 1.959 . . . . 0.0 111.464 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.25 11.72 12.38 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.1 p-90 -132.93 3.12 3.72 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.899 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.921 ' HB2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -70.9 -32.83 2.61 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.8 Cg_exo -35.0 -33.88 0.09 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 123.28 2.653 . . . . 0.0 113.28 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -81.45 -40.08 23.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.794 -179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.921 HD11 ' HB2' ' A' ' 8' ' ' TRP . 1.5 pp -71.0 146.13 49.6 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.898 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.9 -47.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 2' ' ' ARG . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.783 0.325 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' N ' HG22 ' A' ' 1' ' ' VAL . 8.3 mtt-85 -159.21 131.98 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.549 . . . . 0.0 111.021 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -68.98 70.41 0.2 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -34.87 95.62 0.09 OUTLIER Pre-proline 0 N--CA 1.452 -0.361 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.65 -179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 59.3 Cg_endo -69.62 -146.22 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.293 1.995 . . . . 0.0 111.425 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -121.52 7.75 10.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 64.2 p-90 -127.25 1.96 6.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.707 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.35 -32.08 2.56 Favored Pre-proline 0 N--CA 1.449 -0.513 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 179.328 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.88 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 2.9 Cg_exo -34.41 -32.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.3 2.667 . . . . 0.0 113.89 -178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.8 23.38 8.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -94.89 -8.71 36.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.551 0.215 . . . . 0.0 111.547 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -115.4 -26.73 7.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.769 0.319 . . . . 0.0 111.199 -179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.842 0.353 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.06 170.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 110.835 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.04 44.33 2.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.684 -179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 2.4 p90 -34.88 96.19 0.1 Allowed Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.45 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.0 Cg_endo -69.7 -147.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.428 2.085 . . . . 0.0 111.708 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -120.64 8.04 10.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.447 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.0 p-90 -127.46 3.51 6.24 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.596 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.905 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -70.41 -30.7 1.95 Allowed Pre-proline 0 N--CA 1.45 -0.474 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 179.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 4.1 Cg_exo -34.54 -33.61 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 123.3 2.667 . . . . 0.0 113.278 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -79.58 -39.41 31.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.629 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.1 pp -72.42 -14.62 61.74 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.178 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.693 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.3 tpt180 -89.2 161.46 16.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 1' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -137.38 174.22 10.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 14.0 p90 -34.91 96.61 0.11 Allowed Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-O 121.265 0.555 . . . . 0.0 112.315 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 48.5 Cg_endo -66.76 -149.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.127 1.885 . . . . 0.0 111.383 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -119.43 14.79 12.89 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.438 ' CD1' ' HB2' ' A' ' 5' ' ' PRO . 66.0 p-90 -135.69 2.36 2.91 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.021 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.883 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.47 -32.39 2.22 Favored Pre-proline 0 N--CA 1.448 -0.554 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.883 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.84 -31.59 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 123.016 2.477 . . . . 0.0 113.775 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.31 -25.09 29.53 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' HG ' ' HA ' ' A' ' 8' ' ' TRP . 1.4 pp -87.94 38.31 0.84 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.666 0.269 . . . . 0.0 111.439 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -81.38 164.32 22.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 0.0 110.777 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.962 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -86.73 154.02 21.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.38 17.2 9.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.234 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.629 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 p90 -35.44 96.15 0.1 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 58.9 Cg_endo -69.31 -147.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.254 1.969 . . . . 0.0 111.468 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.531 ' CD1' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.98 9.73 10.66 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 68.6 p-90 -129.16 1.5 5.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.881 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -70.17 -32.05 2.62 Favored Pre-proline 0 N--CA 1.448 -0.527 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.881 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -34.54 -32.21 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 123.171 2.581 . . . . 0.0 113.839 -178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.01 23.42 8.54 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -93.91 -0.62 55.57 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.578 0.227 . . . . 0.0 111.475 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -56.87 157.31 5.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.043 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.938 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.833 0.349 . . . . 4.73 111.061 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -168.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 7.63 110.841 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.52 29.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 6.67 111.131 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 4' ' ' PHE . 14.0 p90 -38.65 98.7 0.17 Allowed Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-O 121.208 0.528 . . . . 3.17 112.009 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 34.6 Cg_endo -63.64 -87.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.351 2.034 . . . . 2.82 113.339 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' O ' ' CG ' ' A' ' 9' ' ' PRO . 2.9 p-90 -175.33 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.044 -1.095 . . . . 7.0 108.044 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 59.2 p-90 -89.29 -1.58 58.12 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.763 -1.108 . . . . 3.8 109.607 177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -65.48 -32.99 6.84 Favored Pre-proline 0 N--CA 1.449 -0.516 0 N-CA-C 111.803 0.297 . . . . 3.04 111.803 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.894 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 5.6 Cg_exo -35.05 -33.63 0.09 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 123.067 2.511 . . . . 2.67 113.032 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' TRP . 21.0 m-85 -79.59 -42.38 25.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 3.34 111.77 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.793 ' O ' HD12 ' A' ' 11' ' ' LEU . 2.0 pp -64.83 136.06 56.46 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.63 -0.428 . . . . 2.95 110.644 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -149.78 161.61 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 7.34 110.974 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 7.16 110.938 179.879 . . . . . . . . 0 0 . 1 stop_ save_