data_2i1i_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 2i1i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.165 0.507 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.725 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.105 0.479 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.729 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.689 HD11 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.729 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.15 0.5 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.798 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.123 0.487 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.251 0.548 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.411 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.698 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.698 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.8 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.733 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.414 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.745 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.745 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.739 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.739 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.712 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 8.0 ttm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.779 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' TRP . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.762 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.481 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 HD11 ' C ' ' A' ' 11' ' ' LEU . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.762 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.0 0.428 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HD3' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.836 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.724 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.543 0.687 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 6' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.436 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.434 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.788 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.788 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' TRP . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.491 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.765 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD13 HH12 ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.915 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' H3 ' HG12 ' A' ' 1' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.601 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 15.9 ptm180 -68.17 -44.51 75.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.601 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 46.8 mtp85 -101.99 -51.82 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -175.1 140.72 0.65 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.6 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 -67.11 -51.34 55.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -83.99 -0.21 50.67 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.979 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 71.851 -31.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.695 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.438 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 77.8 ttt180 -59.62 -45.55 91.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 77.6 mtp180 -131.23 -31.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.096 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -163.99 142.11 5.83 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.601 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 -69.04 -56.99 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -85.46 10.81 11.88 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.873 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 66.529 -35.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.727 0.299 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -63.32 -40.61 97.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.611 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 21.0 mmt85 -91.09 -46.28 8.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -170.78 140.25 1.38 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.745 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.725 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 -75.8 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.745 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.27 12.88 12.79 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.959 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 116.999 -3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.403 0.621 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -58.51 -37.47 75.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.59 -44.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.489 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -175.19 139.78 0.61 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.729 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.689 HD11 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.729 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 -69.19 -50.71 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.597 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -90.8 4.39 51.8 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.727 178.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 87.081 -22.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.591 HG21 ' N ' ' A' ' 2' ' ' ARG . 26.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.712 0.291 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.591 ' N ' HG21 ' A' ' 1' ' ' VAL . 49.7 ttt-85 -60.91 -42.61 98.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -137.18 -40.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.01 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -172.6 137.53 0.85 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.798 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 11' ' ' LEU . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.798 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 -75.34 -42.5 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -123.49 12.8 9.39 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.68 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 1 O-C-N 108.826 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 2' ' ' ARG . 8.0 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.722 0.296 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' N ' HG11 ' A' ' 1' ' ' VAL . 76.1 ttt180 -61.18 -58.42 8.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -103.49 -39.59 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -164.16 141.73 5.56 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.115 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.464 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.685 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 -64.65 -53.86 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.725 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.7 mpt_? -90.91 5.42 48.7 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.038 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 90.503 -20.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.002 0.429 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' A' ' 2' ' ' ARG . 21.6 ptt-85 -68.23 -133.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.653 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.559 ' HG3' ' HD2' ' A' ' 4' ' ' PHE . 11.3 tpt180 -62.56 -43.39 98.92 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.559 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 26.2 p90 -172.2 134.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.825 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.411 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.698 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.698 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.8 ttm-85 -76.03 -59.45 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.656 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -83.91 -3.14 57.72 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.988 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 1 O-C-N 113.125 -5.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 5' ' ' PRO . 27.2 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.914 0.388 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -59.18 -37.71 78.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.076 0.465 . . . . 0.0 110.588 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -141.34 -39.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.733 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 -142.17 138.4 16.68 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.596 ' HB3' HG13 ' A' ' 1' ' ' VAL . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.745 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.762 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.745 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 -72.43 -57.39 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.762 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.8 mpt_? -83.97 -8.77 59.07 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.07 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 1 O-C-N 115.146 -4.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 2' ' ' ARG . 27.8 m . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.637 0.256 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' N ' HG22 ' A' ' 1' ' ' VAL . 20.9 ptt-85 -57.35 -39.49 76.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.004 0.43 . . . . 0.0 110.672 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.447 HH11 ' HG3' ' A' ' 3' ' ' ARG . 60.4 mtt85 -143.85 -38.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.066 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 -139.98 135.82 16.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.711 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.739 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.793 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.739 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 -76.25 -57.44 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.793 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 7.0 mpt_? -94.3 -22.87 18.09 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.075 -0.965 . . . . 0.0 110.935 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 91.744 -19.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.727 0.299 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 48.5 mmt-85 -67.64 -144.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 3' ' ' ARG . 60.7 mtt85 -73.3 -39.65 65.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -175.36 137.06 0.53 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.782 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.712 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.82 ' HG2' ' HD2' ' A' ' 13' ' ' ARG . 8.0 ttm-85 -68.34 -59.78 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.82 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -88.99 20.63 3.5 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.828 178.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 119.266 0.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.917 0.389 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.931 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 3' ' ' ARG . 2.7 tpm_? -97.61 -50.91 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -173.09 142.09 1.0 Allowed Pre-proline 0 C--N 1.332 -0.168 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 -76.02 -63.21 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.699 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.6 mpt_? -85.45 7.16 23.77 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.064 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 119.319 0.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 2' ' ' ARG . 30.6 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.669 0.271 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.702 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -55.92 -37.98 69.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.702 ' N ' ' HD3' ' A' ' 2' ' ' ARG . 17.0 ptp180 -108.21 -144.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.779 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 -79.04 134.44 59.78 Favored Pre-proline 0 C--N 1.332 -0.175 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 -74.25 -55.35 6.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -92.89 -17.34 24.15 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.86 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 85.352 -23.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.985 0.421 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.529 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -61.21 -41.19 96.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.427 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 1.8 tmt_? -163.31 -38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.837 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 15.8 p90 -162.21 144.25 8.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.961 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.762 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.481 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 HD11 ' C ' ' A' ' 11' ' ' LEU . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.762 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 -74.49 -51.64 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HD3' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -112.58 21.99 15.06 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.805 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 97.204 -15.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.472 0.653 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 10.5 ptm180 -70.73 -136.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 2' ' ' ARG . 77.8 mtp180 -65.31 -60.69 2.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 110.457 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 -142.26 131.2 11.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.17 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.57 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HD3' ' CD2' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -53.1 -67.79 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 HH21 ' HA ' ' A' ' 9' ' ' ALA . 1.2 mpp_? -84.72 -0.98 55.57 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 81.608 -25.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.663 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -161.93 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.399 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.663 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 75.6 mtm180 -90.56 -48.55 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.098 0.475 . . . . 0.0 110.107 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -174.47 141.88 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.915 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.874 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.836 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 -65.91 -54.88 20.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.874 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.6 4.54 46.6 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.064 -0.969 . . . . 0.0 111.038 179.21 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 1 O-C-N 83.612 -24.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.509 0.671 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -152.43 -61.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 3' ' ' ARG . 50.2 mtp85 -86.78 -47.49 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.724 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 -150.61 133.75 8.66 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.414 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.05 -55.7 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HG2' HH11 ' A' ' 13' ' ' ARG . 0.4 OUTLIER -102.34 35.1 2.52 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.878 179.016 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 104.766 -11.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -72.46 -137.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.361 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 -65.95 -35.1 79.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 -171.95 134.31 0.83 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.64 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 6' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.436 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.8 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.769 ' HG2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.13 -56.75 17.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.8 ' HE ' ' HA ' ' A' ' 9' ' ' ALA . 1.4 mpp_? -87.63 -20.63 26.08 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.869 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 119.364 0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -72.46 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 -154.59 132.4 6.5 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.25 178.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.788 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.788 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.1 -56.37 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HG2' HH11 ' A' ' 13' ' ' ARG . 0.4 OUTLIER -101.86 18.11 21.36 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.743 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 117.245 -3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.057 0.456 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -174.38 -65.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 3' ' ' ARG . 3.3 mmp_? -88.33 137.7 32.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -42.07 133.36 2.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 -178.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.875 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' H ' ' C ' ' A' ' 8' ' ' TRP . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 -58.44 -50.48 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.875 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.6 mpt_? -100.12 -0.68 38.48 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.994 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 105.283 -10.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 3' ' ' ARG . 11.5 ptp180 -68.53 -44.18 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.472 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' HD2' ' C ' ' A' ' 2' ' ' ARG . 1.1 mpt_? -119.27 -41.81 2.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -165.08 140.79 4.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.491 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.433 ' CE3' ' C ' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.765 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD13 HH12 ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.915 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -58.19 -74.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.689 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -79.76 22.17 0.49 Allowed 'General case' 0 C--O 1.248 1.005 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.92 179.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 O-C-N 120.56 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.165 0.507 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.41 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.755 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.755 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.105 0.479 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.15 0.5 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.123 0.487 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.769 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.714 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 11' ' ' LEU . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.769 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.251 0.548 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.411 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.774 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.414 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.686 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.766 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.766 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' CD ' ' HE ' ' A' ' 12' ' ' ARG . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.743 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 8.0 ttm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.74 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.79 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.602 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.0 0.428 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.87 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.728 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.815 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.543 0.687 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.416 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.425 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.818 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.756 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 8' ' ' TRP . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 11' ' ' LEU . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.756 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.86 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.438 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.939 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 2' ' ' ARG . 7.4 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 15.9 ptm180 -68.17 -44.51 75.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.611 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 46.8 mtp85 -101.99 -51.82 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -175.1 140.72 0.65 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.6 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 -67.11 -51.34 55.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 24.0 mmm180 -83.99 -0.21 50.67 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.979 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 71.851 -31.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.695 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 77.8 ttt180 -59.62 -45.55 91.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 77.6 mtp180 -131.23 -31.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.096 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -163.99 142.11 5.83 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.601 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 -69.04 -56.99 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -85.46 10.81 11.88 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.873 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 66.529 -35.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 2' ' ' ARG . 27.8 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.727 0.299 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.616 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -63.32 -40.61 97.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 21.0 mmt85 -91.09 -46.28 8.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -170.78 140.25 1.38 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.755 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.755 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 -75.8 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.755 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.27 12.88 12.79 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.959 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 116.999 -3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 1' ' ' VAL . 14.0 p . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.403 0.621 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -58.51 -37.47 75.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.59 -44.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.489 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -175.19 139.78 0.61 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 -69.19 -50.71 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -90.8 4.39 51.8 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.727 178.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 87.081 -22.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.712 0.291 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 2' ' ' ARG . 49.7 ttt-85 -60.91 -42.61 98.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -137.18 -40.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.01 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -172.6 137.53 0.85 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 -75.34 -42.5 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.63 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -123.49 12.8 9.39 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.68 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 1 O-C-N 108.826 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.722 0.296 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.18 -58.42 8.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -103.49 -39.59 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -164.16 141.73 5.56 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.115 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.769 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.714 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 11' ' ' LEU . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.769 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 -64.65 -53.86 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.74 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.7 mpt_? -90.91 5.42 48.7 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.038 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 90.503 -20.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.002 0.429 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 2' ' ' ARG . 21.6 ptt-85 -68.23 -133.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.653 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.579 ' HG3' ' HD2' ' A' ' 4' ' ' PHE . 11.3 tpt180 -62.56 -43.39 98.92 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 26.2 p90 -172.2 134.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.825 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.411 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.774 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 ttm-85 -76.03 -59.45 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.674 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -83.91 -3.14 57.72 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.988 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 1 O-C-N 113.125 -5.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 5' ' ' PRO . 27.2 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.914 0.388 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -59.18 -37.71 78.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.076 0.465 . . . . 0.0 110.588 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -141.34 -39.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 -142.17 138.4 16.68 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HB3' HG12 ' A' ' 1' ' ' VAL . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 -72.43 -57.39 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.785 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.8 mpt_? -83.97 -8.77 59.07 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.07 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 1 O-C-N 115.146 -4.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.637 0.256 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 20.9 ptt-85 -57.35 -39.49 76.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.004 0.43 . . . . 0.0 110.672 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 3' ' ' ARG . 60.4 mtt85 -143.85 -38.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.066 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.686 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 -139.98 135.82 16.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.711 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.766 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.817 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.766 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 -76.25 -57.44 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 7.0 mpt_? -94.3 -22.87 18.09 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.075 -0.965 . . . . 0.0 110.935 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 91.744 -19.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.727 0.299 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 48.5 mmt-85 -67.64 -144.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 60.7 mtt85 -73.3 -39.65 65.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -175.36 137.06 0.53 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.782 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' CD ' ' HE ' ' A' ' 12' ' ' ARG . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.863 ' HG2' ' HD2' ' A' ' 13' ' ' ARG . 8.0 ttm-85 -68.34 -59.78 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.863 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -88.99 20.63 3.5 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.828 178.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 119.266 0.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.917 0.389 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.931 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 2.7 tpm_? -97.61 -50.91 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 3' ' ' ARG . 6.4 p90 -173.09 142.09 1.0 Allowed Pre-proline 0 C--N 1.332 -0.168 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.716 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 -76.02 -63.21 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.6 mpt_? -85.45 7.16 23.77 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.064 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 119.319 0.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.669 0.271 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -55.92 -37.98 69.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.705 ' N ' ' HD3' ' A' ' 2' ' ' ARG . 17.0 ptp180 -108.21 -144.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 -79.04 134.44 59.78 Favored Pre-proline 0 C--N 1.332 -0.175 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.74 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.79 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 -74.25 -55.35 6.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -92.89 -17.34 24.15 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.86 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 85.352 -23.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.985 0.421 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.535 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -61.21 -41.19 96.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.427 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' ' HD3' ' A' ' 3' ' ' ARG . 1.8 tmt_? -163.31 -38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.837 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.537 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 15.8 p90 -162.21 144.25 8.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.961 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 -74.49 -51.64 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -112.58 21.99 15.06 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.805 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 97.204 -15.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 1' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.472 0.653 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 10.5 ptm180 -70.73 -136.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 2' ' ' ARG . 77.8 mtp180 -65.31 -60.69 2.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 110.457 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.602 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 -142.26 131.2 11.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.17 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.618 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -53.1 -67.79 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.618 HH21 ' HA ' ' A' ' 9' ' ' ALA . 1.2 mpp_? -84.72 -0.98 55.57 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 81.608 -25.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 1' ' ' VAL . 17.0 t . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.672 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -161.93 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.399 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.672 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 75.6 mtm180 -90.56 -48.55 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.098 0.475 . . . . 0.0 110.107 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -174.47 141.88 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.915 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.87 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.888 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 -65.91 -54.88 20.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.6 4.54 46.6 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.064 -0.969 . . . . 0.0 111.038 179.21 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 1 O-C-N 83.612 -24.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 1' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.509 0.671 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.503 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -152.43 -61.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 3' ' ' ARG . 50.2 mtp85 -86.78 -47.49 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.728 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 -150.61 133.75 8.66 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.414 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.815 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.05 -55.7 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -102.34 35.1 2.52 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.878 179.016 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 104.766 -11.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 24.6 mmm180 -72.46 -137.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.361 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 45.2 ttt85 -65.95 -35.1 79.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 -171.95 134.31 0.83 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.64 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.416 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.425 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.843 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -58.13 -56.75 17.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HE ' ' HA ' ' A' ' 9' ' ' ALA . 1.4 mpp_? -87.63 -20.63 26.08 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.869 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 119.364 0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -166.75 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 14.0 mtp-105 -72.46 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 -154.59 132.4 6.5 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.25 178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.818 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.1 -56.37 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -101.86 18.11 21.36 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.743 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 117.245 -3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.057 0.456 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -174.38 -65.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 3.3 mmp_? -88.33 137.7 32.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -42.07 133.36 2.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 -178.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.756 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 11' ' ' LEU . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.756 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.86 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 -58.44 -50.48 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.9 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.6 mpt_? -100.12 -0.68 38.48 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.994 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 105.283 -10.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.547 ' C ' ' HD2' ' A' ' 3' ' ' ARG . 11.5 ptp180 -68.53 -44.18 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.472 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HD2' ' C ' ' A' ' 2' ' ' ARG . 1.1 mpt_? -119.27 -41.81 2.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -165.08 140.79 4.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.438 ' HE3' ' O ' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.939 HH11 ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -58.19 -74.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -79.76 22.17 0.49 Allowed 'General case' 0 C--O 1.248 1.005 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.92 179.717 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 O-C-N 120.56 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 121.165 0.507 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.41 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.755 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.755 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.105 0.479 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.15 0.5 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.123 0.487 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.769 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.714 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 11' ' ' LEU . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.769 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.251 0.548 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.411 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.774 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 ttm-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 . . . . . 0 C--O 1.231 0.105 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.414 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.686 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.766 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.766 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 121.11 0.481 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.5 ' CD ' ' HE ' ' A' ' 12' ' ' ARG . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.5 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.743 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 8.0 ttm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 p90 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.74 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.79 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.8 p90 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.859 0.361 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.602 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.0 0.428 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.089 0.471 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.87 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.728 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.815 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.543 0.687 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.416 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.425 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.497 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.818 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.756 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 8' ' ' TRP . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 11' ' ' LEU . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.756 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.86 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.438 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.939 ' HB2' HH11 ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 2' ' ' ARG . 7.4 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.658 0.266 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 15.9 ptm180 -68.17 -44.51 75.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.611 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 46.8 mtp85 -101.99 -51.82 3.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -175.1 140.72 0.65 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.6 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 61.1 Cg_endo -78.7 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.585 2.19 . . . . 0.0 112.177 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.4 p-90 -173.35 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.319 0.581 . . . . 0.0 109.732 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.402 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.53 2.29 14.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.287 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.754 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.6 p-90 -60.08 -143.62 0.0 OUTLIER 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 66.46 36.9 4.87 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -149.39 -48.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.695 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.5 pp -118.99 -33.94 4.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.985 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 5.7 ttm-85 -67.11 -51.34 55.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.243 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 24.0 mmm180 -83.99 -0.21 50.67 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.979 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 71.851 -31.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.695 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 77.8 ttt180 -59.62 -45.55 91.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 77.6 mtp180 -131.23 -31.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.096 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -163.99 142.11 5.83 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.601 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -76.38 -99.19 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.608 2.205 . . . . 0.0 112.178 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -174.53 -36.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.371 0.605 . . . . 0.0 109.702 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.5 p-90 -77.25 2.99 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.282 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.756 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -61.02 -143.27 0.0 OUTLIER 'General case' 0 C--O 1.231 0.096 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 67.78 36.43 3.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.603 0.716 . . . . 0.0 109.079 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -147.94 -55.05 0.21 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.647 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.97 -33.88 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.588 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 10.1 ttm-85 -69.04 -56.99 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.892 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -85.46 10.81 11.88 Favored 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.873 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 66.529 -35.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 2' ' ' ARG . 27.8 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.727 0.299 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.616 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -63.32 -40.61 97.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 21.0 mmt85 -91.09 -46.28 8.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -170.78 140.25 1.38 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.257 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -78.11 -100.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.006 2.47 . . . . 0.0 112.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.3 p-90 -173.34 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.7 p-90 -76.71 2.68 13.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.297 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.755 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 22.6 p-90 -59.91 -141.93 0.0 OUTLIER 'General case' 0 C--O 1.231 0.108 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.755 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.93 37.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 109.171 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -152.02 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.505 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.0 pp -89.08 -32.93 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.326 178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.755 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.2 ttm-85 -75.8 -59.93 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.915 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.755 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.27 12.88 12.79 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.959 179.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 O-C-N 116.999 -3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 1' ' ' VAL . 14.0 p . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 121.403 0.621 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -58.51 -37.47 75.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.595 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.59 -44.61 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.489 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -175.19 139.78 0.61 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 60.8 Cg_endo -80.21 -98.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.941 2.427 . . . . 0.0 112.375 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.7 p-90 -173.77 -39.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.258 0.551 . . . . 0.0 110.171 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.6 p-90 -76.39 3.85 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.63 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.5 p-90 -60.04 -142.23 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.86 37.53 2.3 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -150.94 -56.44 0.16 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.715 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.4 pp -106.76 -34.56 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.532 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 9.0 ttm-85 -69.19 -50.71 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.708 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.619 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -90.8 4.39 51.8 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.727 178.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 87.081 -22.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.712 0.291 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 2' ' ' ARG . 49.7 ttt-85 -60.91 -42.61 98.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.997 0.427 . . . . 0.0 110.408 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -137.18 -40.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.01 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -172.6 137.53 0.85 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 69.7 Cg_endo -81.69 -103.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.059 2.506 . . . . 0.0 112.47 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -170.15 -37.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.339 0.59 . . . . 0.0 109.765 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -75.63 2.34 12.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.37 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.9 p-90 -59.84 -142.7 0.0 OUTLIER 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.74 35.9 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.605 0.717 . . . . 0.0 109.231 -177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -148.53 -58.81 0.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.142 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -102.61 -34.83 8.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.912 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 19.0 ttm-85 -75.34 -42.5 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.533 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.63 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.5 OUTLIER -123.49 12.8 9.39 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.68 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 1 O-C-N 108.826 -8.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.722 0.296 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.18 -58.42 8.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.221 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -103.49 -39.59 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -164.16 141.73 5.56 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.115 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.6 -100.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.904 2.403 . . . . 0.0 112.275 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.2 p-90 -173.43 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.357 0.598 . . . . 0.0 109.721 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.769 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 7.1 p-90 -76.15 0.6 18.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.267 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.714 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 34.5 p-90 -60.22 -144.98 0.0 OUTLIER 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.74 37.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.509 0.671 . . . . 0.0 109.259 -177.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.551 ' HB3' HD23 ' A' ' 11' ' ' LEU . 34.5 t80 -147.75 -58.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.769 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -105.96 -41.12 5.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.26 178.301 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 11.7 ttm-85 -64.65 -53.86 40.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.662 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.74 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.7 mpt_? -90.91 5.42 48.7 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.038 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 90.503 -20.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.002 0.429 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' A' ' 2' ' ' ARG . 21.6 ptt-85 -68.23 -133.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.653 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.579 ' HG3' ' HD2' ' A' ' 4' ' ' PHE . 11.3 tpt180 -62.56 -43.39 98.92 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 26.2 p90 -172.2 134.59 0.81 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.825 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 49.3 Cg_endo -80.14 -100.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.141 2.561 . . . . 0.0 112.288 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -172.36 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.269 0.557 . . . . 0.0 110.09 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.411 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 8.0 p-90 -76.09 3.34 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.416 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.725 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.4 p-90 -60.45 -141.85 0.0 OUTLIER 'General case' 0 C--O 1.231 0.122 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.8 36.16 2.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -150.26 -64.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.584 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.6 pp -97.93 -31.48 12.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.741 178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.774 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.8 ttm-85 -76.03 -59.45 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.095 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.674 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -83.91 -3.14 57.72 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.988 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 1 O-C-N 113.125 -5.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 5' ' ' PRO . 27.2 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.914 0.388 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -59.18 -37.71 78.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.076 0.465 . . . . 0.0 110.588 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -141.34 -39.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.212 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.5 m-85 -142.17 138.4 16.68 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.861 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HB3' HG12 ' A' ' 1' ' ' VAL . 60.4 Cg_endo -78.79 -102.89 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.528 2.152 . . . . 0.0 112.22 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 15.8 p-90 -171.78 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.285 0.564 . . . . 0.0 109.764 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -75.6 1.46 14.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.298 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 32.9 p-90 -60.55 -144.56 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.785 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.71 34.93 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.591 0.71 . . . . 0.0 109.086 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -145.32 -52.88 0.28 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.377 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -113.54 -32.89 6.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.368 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.4 ttm-85 -72.43 -57.39 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.991 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.785 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.8 mpt_? -83.97 -8.77 59.07 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.07 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 1 O-C-N 115.146 -4.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.637 0.256 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 20.9 ptt-85 -57.35 -39.49 76.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.004 0.43 . . . . 0.0 110.672 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 3' ' ' ARG . 60.4 mtt85 -143.85 -38.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.066 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.686 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.1 m-85 -139.98 135.82 16.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.711 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -79.97 -104.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.771 2.314 . . . . 0.0 112.467 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 16.6 p-90 -170.47 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.309 0.576 . . . . 0.0 109.591 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.3 p-90 -74.38 1.26 12.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.125 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.766 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 31.1 p-90 -60.12 -144.19 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.817 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 68.99 36.37 2.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.56 0.695 . . . . 0.0 109.345 -177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -148.1 -59.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -103.01 -34.03 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.766 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.8 ttm-85 -76.25 -57.44 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.928 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.817 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 7.0 mpt_? -94.3 -22.87 18.09 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.075 -0.965 . . . . 0.0 110.935 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 91.744 -19.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.727 0.299 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 48.5 mmt-85 -67.64 -144.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 60.7 mtt85 -73.3 -39.65 65.16 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -175.36 137.06 0.53 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.782 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' CD ' ' HE ' ' A' ' 12' ' ' ARG . 74.2 Cg_endo -80.6 -99.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.968 2.446 . . . . 0.0 111.829 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -175.08 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.48 0.657 . . . . 0.0 109.443 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 9.2 p-90 -79.27 2.82 19.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.791 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 27.3 p-90 -58.41 -144.11 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.5 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 70.4 39.77 1.19 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.563 -178.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -153.31 -51.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.633 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.1 pp -112.62 -31.69 6.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.615 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.863 ' HG2' ' HD2' ' A' ' 13' ' ' ARG . 8.0 ttm-85 -68.34 -59.78 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.863 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -88.99 20.63 3.5 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.828 178.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 119.266 0.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.917 0.389 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.931 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.548 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 2.7 tpm_? -97.61 -50.91 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' CD2' ' HG3' ' A' ' 3' ' ' ARG . 6.4 p90 -173.09 142.09 1.0 Allowed Pre-proline 0 C--N 1.332 -0.168 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.54 -98.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.817 2.345 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 24.3 p-90 -174.31 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.343 0.592 . . . . 0.0 109.816 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.8 p-90 -76.49 2.49 13.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.475 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.733 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.7 p-90 -59.63 -142.8 0.0 OUTLIER 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -177.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.716 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 69.85 36.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.487 0.661 . . . . 0.0 109.324 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -149.58 -59.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.404 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -102.34 -34.67 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.27 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 13.5 ttm-85 -76.02 -63.21 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.022 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 5.6 mpt_? -85.45 7.16 23.77 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.099 -0.953 . . . . 0.0 111.064 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 119.319 0.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.669 0.271 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HD3' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -55.92 -37.98 69.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.601 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.705 ' N ' ' HD3' ' A' ' 2' ' ' ARG . 17.0 ptp180 -108.21 -144.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.79 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.8 m-85 -79.04 134.44 59.78 Favored Pre-proline 0 C--N 1.332 -0.175 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 58.5 Cg_endo -80.82 -103.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.8 p-90 -171.39 -36.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.283 0.563 . . . . 0.0 109.893 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.1 p-90 -78.1 2.38 18.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.539 179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.74 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 24.2 p-90 -59.61 -142.14 0.0 OUTLIER 'General case' 0 C--O 1.231 0.09 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 71.0 37.02 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.275 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -151.65 -72.24 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.603 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.4 pp -88.43 -30.85 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.38 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.79 ' HD3' ' HD2' ' A' ' 4' ' ' PHE . 12.8 ttm-85 -74.25 -55.35 6.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.974 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -92.89 -17.34 24.15 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.86 179.07 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 85.352 -23.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.985 0.421 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.535 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -61.21 -41.19 96.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.427 179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' O ' ' HD3' ' A' ' 3' ' ' ARG . 1.8 tmt_? -163.31 -38.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.837 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.537 ' HD2' ' HD2' ' A' ' 3' ' ' ARG . 15.8 p90 -162.21 144.25 8.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.961 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 89.1 Cg_endo -78.45 -100.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.65 2.233 . . . . 0.0 111.934 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -175.06 -37.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.8 2.94 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.676 178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.791 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 28.0 p-90 -59.42 -144.52 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' N ' ' HE3' ' A' ' 8' ' ' TRP . . . 68.06 35.42 3.68 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.284 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -146.48 -52.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.187 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -110.77 -34.33 6.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.115 178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.791 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 12.7 ttm-85 -74.49 -51.64 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.918 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -112.58 21.99 15.06 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.805 179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 1 O-C-N 97.204 -15.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.496 ' O ' HG22 ' A' ' 1' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 121.472 0.653 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 10.5 ptm180 -70.73 -136.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 2' ' ' ARG . 77.8 mtp180 -65.31 -60.69 2.71 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 110.457 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.602 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 5.7 m-85 -142.26 131.2 11.98 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.17 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.6 Cg_endo -81.42 -106.91 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.006 2.471 . . . . 0.0 112.221 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 10.9 p-90 -168.63 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.239 0.542 . . . . 0.0 110.115 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 6.1 p-90 -76.84 2.57 14.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.305 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HB2' ' CB ' ' A' ' 12' ' ' ARG . 26.1 p-90 -60.75 -143.46 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.618 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . 72.28 39.8 0.73 Allowed 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -155.52 -60.97 0.11 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.329 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -108.1 -23.47 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.441 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -53.1 -67.79 0.22 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.366 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.618 HH21 ' HA ' ' A' ' 9' ' ' ALA . 1.2 mpp_? -84.72 -0.98 55.57 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.975 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 81.608 -25.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 1' ' ' VAL . 17.0 t . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.672 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -161.93 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.399 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.672 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 75.6 mtm180 -90.56 -48.55 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.098 0.475 . . . . 0.0 110.107 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -174.47 141.88 0.78 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.915 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.48 -100.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.971 2.447 . . . . 0.0 112.174 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -173.7 -38.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 109.347 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 10.8 p-90 -77.28 2.65 15.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.775 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.87 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 21.7 p-90 -59.02 -146.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.888 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 79.91 -16.57 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.567 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -88.91 -51.87 5.4 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.319 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.3 pp -109.83 -35.32 6.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.598 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.6 ttm-85 -65.91 -54.88 20.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.234 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -88.6 4.54 46.6 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.064 -0.969 . . . . 0.0 111.038 179.21 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 1 O-C-N 83.612 -24.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 1' ' ' VAL . 14.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 121.509 0.671 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.503 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -152.43 -61.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 3' ' ' ARG . 50.2 mtp85 -86.78 -47.49 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.728 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 1.9 m-85 -150.61 133.75 8.66 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.414 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 55.8 Cg_endo -80.68 -101.3 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.742 2.294 . . . . 0.0 112.496 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.6 p-90 -172.51 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 109.881 -179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -74.9 2.98 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.369 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 26.8 p-90 -61.13 -143.44 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 65.26 33.18 9.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -143.24 -54.1 0.38 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.342 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -112.22 -32.62 6.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.193 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.815 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.05 -55.7 6.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.808 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' CD ' ' HG2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -102.34 35.1 2.52 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.878 179.016 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 1 O-C-N 104.766 -11.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 65.6 t . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 24.6 mmm180 -72.46 -137.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.361 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 45.2 ttt85 -65.95 -35.1 79.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.7 p90 -171.95 134.31 0.83 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.64 178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 59.2 Cg_endo -83.95 -112.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.432 2.754 . . . . 0.0 112.765 -178.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.416 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 9.1 p-90 -160.6 -38.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.178 0.514 . . . . 0.0 110.381 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.425 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 6.8 p-90 -77.51 3.97 12.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.572 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 18.6 p-90 -59.83 -141.92 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.843 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . . . 75.25 40.56 0.33 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.038 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -158.81 -64.88 0.08 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 12' ' ' ARG . 2.4 pp -98.95 -30.55 12.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.981 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -58.13 -56.75 17.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.234 -179.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HE ' ' HA ' ' A' ' 9' ' ' ALA . 1.4 mpp_? -87.63 -20.63 26.08 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.089 -0.957 . . . . 0.0 110.869 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 119.364 0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.84 0.352 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' HB3' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -166.75 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' H ' ' HB3' ' A' ' 2' ' ' ARG . 14.0 mtp-105 -72.46 -64.27 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HD2' ' HD3' ' A' ' 12' ' ' ARG . 2.1 m-85 -154.59 132.4 6.5 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.25 178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 45.3 Cg_endo -80.75 -104.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.628 2.219 . . . . 0.0 112.372 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -169.26 -38.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' O ' ' HE3' ' A' ' 7' ' ' TRP . 7.6 p-90 -75.15 2.52 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.403 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 25.2 p-90 -60.55 -142.91 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 66.11 34.29 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -144.62 -55.89 0.34 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 12' ' ' ARG . 4.2 pp -109.39 -32.42 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.198 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.818 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 14.2 ttm-85 -73.1 -56.37 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.911 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -101.86 18.11 21.36 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.743 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 117.245 -3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.057 0.456 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -174.38 -65.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 3.3 mmp_? -88.33 137.7 32.09 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -42.07 133.36 2.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 111.713 -178.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 93.1 Cg_endo -83.85 -97.93 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.24 2.627 . . . . 0.0 111.921 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -175.18 -38.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.463 0.649 . . . . 0.0 109.401 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.756 ' HZ3' HD21 ' A' ' 11' ' ' LEU . 8.9 p-90 -76.97 1.29 18.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.904 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.86 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 33.0 p-90 -57.89 -145.2 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 13' ' ' ARG . . . 81.01 -20.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.45 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 11' ' ' LEU . 17.4 t80 -85.12 -52.3 6.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.204 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.756 HD21 ' HZ3' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -110.0 -46.18 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.008 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.86 ' HB3' ' HB2' ' A' ' 8' ' ' TRP . 16.2 ttm-85 -58.44 -50.48 73.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.9 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 6.6 mpt_? -100.12 -0.68 38.48 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.994 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 105.283 -10.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.759 0.314 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.547 ' C ' ' HD2' ' A' ' 3' ' ' ARG . 11.5 ptp180 -68.53 -44.18 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.472 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HD2' ' C ' ' A' ' 2' ' ' ARG . 1.1 mpt_? -119.27 -41.81 2.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -165.08 140.79 4.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 71.6 Cg_endo -80.8 -109.05 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.923 2.415 . . . . 0.0 112.594 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.4 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 11.8 p-90 -164.21 -37.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.252 0.549 . . . . 0.0 109.77 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.438 ' HE3' ' O ' ' A' ' 7' ' ' TRP . 7.2 p-90 -75.97 1.79 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.308 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' HH11 ' A' ' 12' ' ' ARG . 21.4 p-90 -58.53 -143.28 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' H ' ' HB2' ' A' ' 8' ' ' TRP . . . 69.07 41.07 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.593 -177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -154.62 -61.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.991 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 12' ' ' ARG . 3.5 pp -107.27 -21.79 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.832 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.939 HH11 ' HB2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -58.19 -74.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.356 -179.327 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HD2' ' HG2' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -79.76 22.17 0.49 Allowed 'General case' 0 C--O 1.248 1.005 0 CA-C-O 118.126 -0.94 . . . . 0.0 110.92 179.717 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 O-C-N 120.56 -1.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_