data_2i1d_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 2i1d _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -170.86 138.0 1.3 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.596 0.236 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -176.17 26.01 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.013 0.911 . . . . 0.0 108.669 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.843 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.5 p90 -169.21 164.83 6.88 Favored Pre-proline 0 N--CA 1.428 -1.548 0 CA-C-N 113.802 -1.545 . . . . 0.0 110.624 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.856 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 37.3 Cg_exo -61.11 -74.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 123.23 2.62 . . . . 0.0 111.965 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.0 p-90 153.48 -36.72 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.594 1.158 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.721 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.5 p-90 -85.99 -14.06 45.7 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.486 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.856 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -77.58 -29.75 0.71 Allowed Pre-proline 0 N--CA 1.428 -1.573 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -174.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.751 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -88.96 36.53 0.39 Allowed 'Trans proline' 0 CA--C 1.495 -1.443 0 N-CA-C 105.681 -2.469 . . . . 0.0 105.681 177.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.8 t80 -142.09 -45.71 0.34 Allowed 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 111.479 -2.601 . . . . 0.0 110.447 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.77 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -77.12 -35.75 56.06 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 32.7 ptt180 -61.77 -45.95 91.66 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 55.1 mmt-85 -66.49 -25.54 66.75 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.013 0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 2' ' ' ARG . 64.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.63 0.252 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.548 ' HG3' HG12 ' A' ' 1' ' ' VAL . 74.9 mtt-85 -151.11 -44.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -175.68 24.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.85 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 12.7 p90 -166.19 164.72 10.96 Favored Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.513 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.814 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.0 Cg_exo -58.46 -73.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.319 2.679 . . . . 0.0 111.442 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.614 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.3 p-90 151.85 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.418 1.087 . . . . 0.0 109.325 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 60.1 p-90 -86.99 -15.02 39.97 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.362 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.85 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -74.93 -29.9 0.95 Allowed Pre-proline 0 N--CA 1.438 -1.05 0 CA-C-N 114.058 -1.428 . . . . 0.0 114.43 -175.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.692 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -91.48 15.75 1.64 Allowed 'Trans proline' 0 CA--C 1.5 -1.196 0 C-N-CA 123.135 2.557 . . . . 0.0 106.591 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 47.4 t80 -116.87 -44.96 2.79 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.18 -2.737 . . . . 0.0 110.528 -176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.725 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -74.69 -33.77 62.52 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.358 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.677 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 3.1 ptp180 -56.32 -54.01 50.56 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.677 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 7.3 ptm180 -73.06 -28.79 62.52 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 1 O-C-N 111.532 -6.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.647 HG13 ' N ' ' A' ' 2' ' ' ARG . 90.4 t . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.647 ' N ' HG13 ' A' ' 1' ' ' VAL . 53.8 mmt-85 64.07 125.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' A' ' 3' ' ' ARG . 23.9 ptt-85 -177.74 21.15 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.839 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -166.68 164.77 10.2 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.864 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 36.1 Cg_exo -61.18 -73.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 123.202 2.602 . . . . 0.0 111.949 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 46.8 p-90 153.4 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.507 1.123 . . . . 0.0 109.06 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.72 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.3 p-90 -85.93 -13.66 47.07 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.624 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.864 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -78.35 -29.35 0.64 Allowed Pre-proline 0 N--CA 1.427 -1.596 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -174.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.778 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 67.7 Cg_endo -88.4 36.98 0.42 Allowed 'Trans proline' 0 CA--C 1.495 -1.453 0 N-CA-C 105.67 -2.473 . . . . 0.0 105.67 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.72 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.2 t80 -142.88 -43.51 0.3 Allowed 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 111.558 -2.564 . . . . 0.0 110.621 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.771 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -79.2 -38.55 35.48 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.415 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.65 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.9 ptm180 -65.19 -51.44 61.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.128 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.65 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 33.1 tpt85 -82.28 -34.49 28.69 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.126 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -169.51 109.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.706 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 175.59 34.15 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.849 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.9 p90 -164.88 166.6 10.86 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 113.921 -1.491 . . . . 0.0 111.319 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.831 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.2 Cg_exo -57.66 -74.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.201 2.601 . . . . 0.0 111.442 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.2 p-90 152.19 -36.65 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.497 1.119 . . . . 0.0 108.956 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.754 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 57.3 p-90 -86.84 -13.79 43.97 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.42 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.849 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -77.25 -29.96 0.74 Allowed Pre-proline 0 N--CA 1.435 -1.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.202 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.704 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.9 Cg_endo -88.82 7.04 4.45 Favored 'Trans proline' 0 CA--C 1.499 -1.239 0 C-N-CA 122.839 2.359 . . . . 0.0 106.731 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.754 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 49.5 t80 -103.28 -42.92 5.59 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 110.934 -2.848 . . . . 0.0 110.712 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.715 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -79.68 -37.8 35.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 15.8 ptm180 -63.3 -41.97 99.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 7.6 ptm180 -168.99 18.43 0.02 OUTLIER 'General case' 0 C--O 1.248 1.024 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 1 O-C-N 87.401 -22.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.83 -39.2 80.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.432 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -175.44 29.54 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.756 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 37.1 p90 -152.11 165.25 17.88 Favored Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 113.488 -1.687 . . . . 0.0 110.679 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.833 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.7 Cg_exo -60.37 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.059 2.506 . . . . 0.0 111.745 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.557 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 53.4 p-90 153.98 -37.57 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.675 1.19 . . . . 0.0 108.541 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.776 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 43.7 p-90 -86.21 -6.94 58.88 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.802 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.833 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -83.18 -28.14 0.43 Allowed Pre-proline 0 N--CA 1.426 -1.644 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -174.002 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.814 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 84.2 Cg_endo -72.94 -17.76 24.96 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 N-CA-C 106.016 -2.34 . . . . 0.0 106.016 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.776 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.1 t80 -78.58 -47.54 16.97 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 109.948 -3.296 . . . . 0.0 112.479 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.732 HD21 ' O ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -76.39 -37.71 56.77 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.018 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.712 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 4.5 ptp180 -55.83 -58.36 8.19 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.712 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 54.0 mmt-85 -81.1 -52.64 7.16 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.38 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 118.293 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 9.9 mpt_? -67.78 129.07 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 3' ' ' ARG . 9.4 tpt180 179.44 33.15 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.24 167.68 3.25 Favored Pre-proline 0 N--CA 1.432 -1.353 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.459 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.811 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 25.8 Cg_exo -60.35 -73.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.123 2.549 . . . . 0.0 111.423 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.6 p-90 153.58 -37.26 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 109.552 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.4 p-90 -86.04 -16.15 39.09 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.334 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.841 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -75.21 -30.63 1.0 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.988 -1.46 . . . . 0.0 114.611 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.722 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.1 Cg_endo -90.21 37.02 0.34 Allowed 'Trans proline' 0 CA--C 1.494 -1.493 0 C-N-CA 123.107 2.538 . . . . 0.0 106.049 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.717 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 22.6 t80 -141.77 -43.43 0.35 Allowed 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 111.902 -2.408 . . . . 0.0 110.644 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.728 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 2.1 pt? -75.45 -28.96 59.52 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.9 mtp85 -48.79 -49.92 36.54 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.246 0.546 . . . . 0.0 110.361 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -174.49 -1.36 0.01 OUTLIER 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.165 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.567 0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' HE ' ' HE1' ' A' ' 4' ' ' PHE . 87.6 mtm180 -148.94 -40.64 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -177.1 32.77 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.395 1.093 . . . . 0.0 108.262 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.822 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 22.7 p90 -162.26 166.14 14.54 Favored Pre-proline 0 N--CA 1.429 -1.478 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.959 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.854 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.0 Cg_exo -60.47 -76.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 122.966 2.444 . . . . 0.0 111.851 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 38.8 p-90 154.52 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.537 1.135 . . . . 0.0 108.818 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.0 p-90 -85.98 -12.72 49.65 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.473 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.854 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -79.41 -29.7 0.6 Allowed Pre-proline 0 N--CA 1.426 -1.637 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -87.62 38.24 0.5 Allowed 'Trans proline' 0 CA--C 1.495 -1.437 0 N-CA-C 105.574 -2.51 . . . . 0.0 105.574 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 17.0 t80 -142.64 -45.79 0.32 Allowed 'General case' 0 N--CA 1.422 -1.857 0 CA-C-N 111.615 -2.538 . . . . 0.0 110.509 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -77.87 -15.71 58.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 110.125 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 47.2 mtp85 -48.62 -40.57 28.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.002 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -170.32 13.47 0.02 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.698 -1.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -58.02 129.76 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 178.66 26.55 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 21.1 p90 -170.1 165.44 5.72 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.807 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.841 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.0 Cg_exo -62.47 -73.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 123.499 2.799 . . . . 0.0 112.024 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.589 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.4 p-90 154.36 -36.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.436 1.094 . . . . 0.0 109.41 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.0 p-90 -86.18 -15.25 41.56 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.55 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -30.14 0.72 Allowed Pre-proline 0 N--CA 1.431 -1.421 0 CA-C-N 114.137 -1.392 . . . . 0.0 114.401 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -80.83 -16.33 10.23 Favored 'Trans proline' 0 CA--C 1.499 -1.261 0 C-N-CA 122.157 1.905 . . . . 0.0 107.173 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 4.0 t80 -66.19 -33.39 75.65 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 111.279 -2.691 . . . . 0.0 109.113 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.808 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 mm? -65.57 -41.33 93.06 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 65.9 mtm180 -50.9 -56.81 10.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.511 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.4 mmt-85 -81.96 -7.51 59.61 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.491 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 O-C-N 116.352 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.624 0.249 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 64.48 125.57 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.285 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 6.2 tpm_? -174.48 35.36 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.814 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.7 p90 -169.53 164.92 6.52 Favored Pre-proline 0 N--CA 1.429 -1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.847 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.4 Cg_exo -60.94 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.271 2.647 . . . . 0.0 111.904 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.582 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.7 p-90 153.54 -36.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.98 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.726 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 46.0 p-90 -85.75 -12.35 51.29 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.715 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.847 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -79.69 -28.7 0.54 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -174.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.765 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -86.84 40.08 0.66 Allowed 'Trans proline' 0 CA--C 1.495 -1.428 0 N-CA-C 105.645 -2.483 . . . . 0.0 105.645 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 14.5 t80 -144.4 -43.33 0.25 Allowed 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.746 -2.479 . . . . 0.0 110.528 -173.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -80.79 -20.83 41.7 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.312 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.675 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 78.9 mtp180 -50.32 -42.38 52.71 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 5.7 ppt_? -168.08 9.05 0.02 OUTLIER 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.187 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 119.205 -2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 59.48 53.48 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.737 ' HG3' ' HD1' ' A' ' 4' ' ' PHE . 15.8 ptm180 -173.12 -3.32 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.805 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 31.6 p90 -170.69 156.69 5.17 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.43 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.824 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.3 Cg_exo -58.87 -73.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 123.188 2.592 . . . . 0.0 112.036 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.9 p-90 151.53 -36.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.785 1.234 . . . . 0.0 108.778 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.75 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 42.7 p-90 -87.2 -9.78 54.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.174 -1.376 . . . . 0.0 109.519 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.824 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.5 OUTLIER -80.36 -27.44 0.47 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -174.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.77 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 45.9 Cg_endo -88.03 37.43 0.45 Allowed 'Trans proline' 0 CA--C 1.496 -1.393 0 N-CA-C 105.562 -2.515 . . . . 0.0 105.562 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.75 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.0 t80 -141.16 -43.09 0.38 Allowed 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 111.398 -2.637 . . . . 0.0 110.364 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.761 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.9 pt? -80.81 -23.0 39.52 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.157 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.658 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.8 mtp85 -44.37 -43.18 7.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 6.3 ppt_? -170.94 13.48 0.02 OUTLIER 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.789 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 1 O-C-N 90.199 -20.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.4 t . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.291 0.567 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.517 ' NH1' ' HB3' ' A' ' 2' ' ' ARG . 2.8 mmm180 -60.43 -38.62 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 3' ' ' ARG . 32.8 ptt85 -175.65 34.4 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 122.037 0.922 . . . . 0.0 108.555 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.835 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -157.69 164.89 19.99 Favored Pre-proline 0 N--CA 1.432 -1.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.158 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.814 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.3 Cg_exo -57.34 -75.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 111.336 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.604 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 152.37 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 109.049 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.0 p-90 -87.25 -14.34 41.29 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.207 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.835 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -75.49 -29.51 0.86 Allowed Pre-proline 0 N--CA 1.436 -1.154 0 CA-C-N 114.3 -1.318 . . . . 0.0 114.355 -175.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.69 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.1 Cg_endo -90.16 11.82 2.66 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 C-N-CA 122.967 2.445 . . . . 0.0 106.84 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.5 t80 -111.3 -43.53 3.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.639 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.72 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -77.05 -24.57 51.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.724 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 42.0 mtp85 -48.88 -57.42 6.46 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.1 -14.91 59.3 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.509 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 116.402 -3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.5 HG23 ' HD2' ' A' ' 3' ' ' ARG . 35.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -65.88 128.52 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' HD2' HG23 ' A' ' 1' ' ' VAL . 14.7 ptm180 -179.91 30.66 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.836 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -164.65 167.92 9.55 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 113.46 -1.7 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.832 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.3 Cg_exo -58.89 -74.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.226 2.618 . . . . 0.0 111.554 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.9 p-90 155.32 -36.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.156 0.982 . . . . 0.0 109.32 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.744 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.8 p-90 -88.0 -16.47 33.61 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.4 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.836 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -76.55 -28.14 0.67 Allowed Pre-proline 0 N--CA 1.434 -1.251 0 CA-C-N 114.148 -1.387 . . . . 0.0 114.188 -175.28 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.66 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 66.5 Cg_endo -79.54 -22.33 8.05 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 C-N-CA 122.208 1.939 . . . . 0.0 107.391 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 3.4 t80 -60.97 -29.41 69.65 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 111.118 -2.764 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -75.67 -55.72 5.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 110.213 178.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.64 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.4 ptt180 -62.09 -59.34 5.21 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.587 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.64 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 mmt180 -85.07 -20.67 30.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 1 O-C-N 108.375 -8.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.448 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 64.7 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.57 0.224 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 2' ' ' ARG . 42.9 mmm-85 57.86 53.93 6.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 11.7 tpt180 -171.33 41.85 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.827 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.9 p90 -160.36 165.48 17.5 Favored Pre-proline 0 N--CA 1.429 -1.522 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.226 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -60.94 -74.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.624 0 C-N-CA 123.337 2.691 . . . . 0.0 111.918 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.596 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 42.1 p-90 154.09 -37.03 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.616 1.166 . . . . 0.0 109.135 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.717 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.1 p-90 -86.25 -13.13 47.71 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.66 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.836 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -77.73 -29.21 0.66 Allowed Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.62 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.774 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 70.1 Cg_endo -89.49 31.46 0.38 Allowed 'Trans proline' 0 CA--C 1.495 -1.441 0 N-CA-C 105.634 -2.487 . . . . 0.0 105.634 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.717 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.3 t80 -138.24 -45.72 0.51 Allowed 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 111.375 -2.648 . . . . 0.0 110.505 -174.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -73.55 -37.18 65.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.179 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 2.9 ptp180 -60.82 -49.06 79.02 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.64 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 63.1 mtt85 -154.33 -22.42 0.13 Allowed 'General case' 0 C--O 1.25 1.113 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.548 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 1 O-C-N 80.487 -26.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -72.83 137.57 45.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 42.8 ttt85 -176.74 0.83 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.795 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 27.5 p90 -171.84 158.62 4.5 Favored Pre-proline 0 N--CA 1.428 -1.531 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.67 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.819 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_exo -57.84 -73.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 111.933 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.596 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 35.7 p-90 150.97 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.838 1.255 . . . . 0.0 108.709 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 40.9 p-90 -87.78 -8.72 55.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.572 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.819 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -80.6 -26.73 0.44 Allowed Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -174.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.768 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_endo -89.93 26.86 0.5 Allowed 'Trans proline' 0 CA--C 1.496 -1.403 0 N-CA-C 105.704 -2.46 . . . . 0.0 105.704 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 26.1 t80 -131.43 -42.9 1.04 Allowed 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 110.837 -2.892 . . . . 0.0 110.087 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.2 pt? -79.3 -34.87 42.03 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 1.9 ptp180 -61.47 -50.24 73.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 2.8 tmm_? -71.78 -13.67 61.77 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.662 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 1 O-C-N 101.258 -13.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 2' ' ' ARG . 7.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.721 0.296 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.567 ' N ' HG12 ' A' ' 1' ' ' VAL . 28.9 ttm180 -60.92 -58.18 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.516 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 32.2 ptt180 179.79 37.34 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.575 0.702 . . . . 0.0 109.549 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.821 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.4 p90 -151.57 155.89 34.4 Favored Pre-proline 0 N--CA 1.434 -1.261 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.556 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' HD2' ' HB2' ' A' ' 4' ' ' PHE . 58.0 Cg_endo -67.16 -66.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 123.34 2.694 . . . . 0.0 112.022 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.599 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.1 p-90 152.12 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.225 1.01 . . . . 0.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.1 p-90 -85.46 -10.76 55.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.339 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.821 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 1.4 p-90 -78.07 -27.97 0.58 Allowed Pre-proline 0 N--CA 1.434 -1.254 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.766 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -88.2 11.34 3.13 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 C-N-CA 122.71 2.273 . . . . 0.0 106.48 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 60.7 t80 -111.6 -41.99 3.95 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.818 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -83.34 -14.35 53.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.985 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 13.6 mtp-105 -50.68 -58.69 5.26 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -84.07 -7.98 59.24 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.719 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 1 O-C-N 73.019 -31.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 2' ' ' ARG . 10.5 tpt180 63.0 52.33 2.62 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.739 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -179.85 40.0 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.528 0.68 . . . . 0.0 109.973 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.829 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -152.32 153.99 31.54 Favored Pre-proline 0 N--CA 1.438 -1.053 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.678 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.651 ' CG ' ' HB3' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -65.01 -65.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.327 -0.599 0 C-N-CA 123.341 2.694 . . . . 0.0 112.252 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 56.7 p-90 153.25 -35.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.178 0.991 . . . . 0.0 109.931 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.764 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.5 p-90 -87.28 -14.57 40.56 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.348 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.829 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.26 -27.85 0.89 Allowed Pre-proline 0 CA--C 1.557 1.249 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 36.9 Cg_endo -85.77 -14.8 5.18 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 C-N-CA 122.576 2.184 . . . . 0.0 107.517 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.764 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.2 t80 -68.01 -34.75 77.1 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.505 -2.589 . . . . 0.0 109.522 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.796 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.96 -42.61 72.95 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 36.8 mtp85 -48.49 -82.87 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.732 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -71.9 -13.1 61.56 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.655 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 1 O-C-N 102.49 -12.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.57 0.224 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 60.57 67.51 0.83 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 28.3 tpt180 -168.32 43.58 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.853 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 25.2 p90 -158.37 166.69 15.97 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.522 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.82 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.4 Cg_exo -59.78 -74.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.536 2.824 . . . . 0.0 111.576 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 54.1 p-90 154.71 -37.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.249 1.02 . . . . 0.0 109.539 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.4 p-90 -86.68 -17.81 32.83 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.538 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.853 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -73.23 -30.74 1.29 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.948 -1.478 . . . . 0.0 114.276 -175.542 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 64.5 Cg_endo -86.66 -12.59 5.27 Favored 'Trans proline' 0 CA--C 1.501 -1.155 0 C-N-CA 122.925 2.417 . . . . 0.0 107.761 178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.4 t80 -70.76 -31.19 67.92 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 111.614 -2.539 . . . . 0.0 109.57 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.746 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -72.72 -53.37 11.87 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.669 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.0 ptt180 -66.03 -59.3 3.94 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.609 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.669 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 90.0 mtm180 -95.33 -44.72 7.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 1 O-C-N 97.819 -15.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 1' ' ' VAL . 27.5 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -66.42 132.13 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -177.2 -1.01 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.892 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.28 161.19 4.32 Favored Pre-proline 0 N--CA 1.425 -1.702 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.534 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.858 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 38.7 Cg_exo -61.52 -73.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 123.321 2.681 . . . . 0.0 112.264 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.6 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 37.8 p-90 152.65 -35.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.681 1.193 . . . . 0.0 108.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.771 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.9 p-90 -85.28 -12.37 52.58 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.384 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.892 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -82.59 -30.47 0.5 Allowed Pre-proline 0 N--CA 1.428 -1.567 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.58 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -79.62 -5.59 14.11 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.771 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 83.9 t80 -88.18 -43.08 11.88 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 110.555 -3.02 . . . . 0.0 110.456 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.749 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -93.97 18.47 10.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.476 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.586 ' NE ' ' HA ' ' A' ' 9' ' ' PRO . 91.0 mtt-85 -57.46 -48.58 78.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.422 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.28 -5.16 25.78 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 1 O-C-N 107.474 -9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -158.06 54.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.195 0.521 . . . . 0.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 2.5 tpm_? -168.55 42.08 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.8 p90 -103.31 163.23 17.88 Favored Pre-proline 0 N--CA 1.428 -1.537 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.824 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.782 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.9 Cg_exo -56.39 -73.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.372 2.715 . . . . 0.0 111.569 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 150.14 -36.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.541 1.137 . . . . 0.0 109.123 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.73 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.5 p-90 -87.28 -15.38 38.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.264 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.86 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -74.49 -29.8 0.99 Allowed Pre-proline 0 N--CA 1.437 -1.095 0 CA-C-N 114.174 -1.375 . . . . 0.0 114.294 -175.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.0 Cg_endo -93.01 22.09 0.61 Allowed 'Trans proline' 0 CA--C 1.497 -1.371 0 C-N-CA 123.282 2.655 . . . . 0.0 106.488 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 48.2 t80 -123.99 -44.36 2.06 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 111.197 -2.729 . . . . 0.0 110.122 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.719 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -76.65 -17.57 59.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.26 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 75.6 mtp180 -47.44 -57.13 5.69 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' NH1' ' HB3' ' A' ' 13' ' ' ARG . 12.3 mtp-105 -80.75 -7.02 59.25 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.537 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 86.008 -22.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 1' ' ' VAL . 9.6 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -172.19 136.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 HH11 ' HG3' ' A' ' 3' ' ' ARG . 7.6 ptm180 -179.72 28.06 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.833 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.1 p90 -165.06 167.2 9.98 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 113.592 -1.64 . . . . 0.0 110.891 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.847 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -62.82 -73.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 123.424 2.749 . . . . 0.0 111.935 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.3 p-90 154.29 -36.74 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.432 1.093 . . . . 0.0 109.329 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.7 p-90 -85.37 -14.62 45.8 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.699 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.847 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -78.48 -29.58 0.64 Allowed Pre-proline 0 N--CA 1.428 -1.534 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -174.478 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 59.8 Cg_endo -86.51 39.89 0.67 Allowed 'Trans proline' 0 CA--C 1.495 -1.442 0 N-CA-C 105.721 -2.453 . . . . 0.0 105.721 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.5 t80 -145.51 -45.21 0.21 Allowed 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 111.741 -2.482 . . . . 0.0 110.499 -173.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.759 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -81.06 -35.92 31.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 40.9 ptt85 -58.88 -38.34 78.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.538 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.33 -34.51 73.92 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.4 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 116.153 -4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -170.86 138.0 1.3 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.596 0.236 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -176.17 26.01 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.013 0.911 . . . . 0.0 108.669 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.5 p90 -169.21 164.83 6.88 Favored Pre-proline 0 N--CA 1.428 -1.548 0 CA-C-N 113.802 -1.545 . . . . 0.0 110.624 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 37.3 Cg_exo -61.11 -74.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 123.23 2.62 . . . . 0.0 111.965 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.0 p-90 153.48 -36.72 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.594 1.158 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.735 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.5 p-90 -85.99 -14.06 45.7 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.486 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.002 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -77.58 -29.75 0.71 Allowed Pre-proline 0 N--CA 1.428 -1.573 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -174.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.737 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -88.96 36.53 0.39 Allowed 'Trans proline' 0 CA--C 1.495 -1.443 0 N-CA-C 105.681 -2.469 . . . . 0.0 105.681 177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.8 t80 -142.09 -45.71 0.34 Allowed 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 111.479 -2.601 . . . . 0.0 110.447 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.002 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -77.12 -35.75 56.06 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' HE ' ' HA ' ' A' ' 9' ' ' PRO . 32.7 ptt180 -61.77 -45.95 91.66 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 55.1 mmt-85 -66.49 -25.54 66.75 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.013 0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.589 HG12 ' HG3' ' A' ' 2' ' ' ARG . 64.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.63 0.252 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.589 ' HG3' HG12 ' A' ' 1' ' ' VAL . 74.9 mtt-85 -151.11 -44.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -175.68 24.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 12.7 p90 -166.19 164.72 10.96 Favored Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.513 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.0 Cg_exo -58.46 -73.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.319 2.679 . . . . 0.0 111.442 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.609 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.3 p-90 151.85 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.418 1.087 . . . . 0.0 109.325 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.736 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 60.1 p-90 -86.99 -15.02 39.97 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.362 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.917 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.93 -29.9 0.95 Allowed Pre-proline 0 N--CA 1.438 -1.05 0 CA-C-N 114.058 -1.428 . . . . 0.0 114.43 -175.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -91.48 15.75 1.64 Allowed 'Trans proline' 0 CA--C 1.5 -1.196 0 C-N-CA 123.135 2.557 . . . . 0.0 106.591 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.736 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 47.4 t80 -116.87 -44.96 2.79 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.18 -2.737 . . . . 0.0 110.528 -176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -74.69 -33.77 62.52 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.358 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 3.1 ptp180 -56.32 -54.01 50.56 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 7.3 ptm180 -73.06 -28.79 62.52 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 1 O-C-N 111.532 -6.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.734 HG12 ' HG2' ' A' ' 2' ' ' ARG . 90.4 t . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.734 ' HG2' HG12 ' A' ' 1' ' ' VAL . 53.8 mmt-85 64.07 125.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 3' ' ' ARG . 23.9 ptt-85 -177.74 21.15 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -166.68 164.77 10.2 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.885 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 36.1 Cg_exo -61.18 -73.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 123.202 2.602 . . . . 0.0 111.949 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 46.8 p-90 153.4 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.507 1.123 . . . . 0.0 109.06 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.726 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.3 p-90 -85.93 -13.66 47.07 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.624 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.939 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -78.35 -29.35 0.64 Allowed Pre-proline 0 N--CA 1.427 -1.596 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -174.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 67.7 Cg_endo -88.4 36.98 0.42 Allowed 'Trans proline' 0 CA--C 1.495 -1.453 0 N-CA-C 105.67 -2.473 . . . . 0.0 105.67 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.2 t80 -142.88 -43.51 0.3 Allowed 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 111.558 -2.564 . . . . 0.0 110.621 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.939 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -79.2 -38.55 35.48 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.415 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.655 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.9 ptm180 -65.19 -51.44 61.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.128 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.655 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 33.1 tpt85 -82.28 -34.49 28.69 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.126 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HG3' HH11 ' A' ' 2' ' ' ARG . 46.9 ttm-85 -169.51 109.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.706 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.422 HH11 ' HB2' ' A' ' 3' ' ' ARG . 2.5 ptp180 175.59 34.15 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.876 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.9 p90 -164.88 166.6 10.86 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 113.921 -1.491 . . . . 0.0 111.319 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.845 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.2 Cg_exo -57.66 -74.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.201 2.601 . . . . 0.0 111.442 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.602 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.2 p-90 152.19 -36.65 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.497 1.119 . . . . 0.0 108.956 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.765 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 57.3 p-90 -86.84 -13.79 43.97 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.42 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.876 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -77.25 -29.96 0.74 Allowed Pre-proline 0 N--CA 1.435 -1.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.202 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.9 Cg_endo -88.82 7.04 4.45 Favored 'Trans proline' 0 CA--C 1.499 -1.239 0 C-N-CA 122.839 2.359 . . . . 0.0 106.731 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 49.5 t80 -103.28 -42.92 5.59 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 110.934 -2.848 . . . . 0.0 110.712 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.778 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -79.68 -37.8 35.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 15.8 ptm180 -63.3 -41.97 99.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 7.6 ptm180 -168.99 18.43 0.02 OUTLIER 'General case' 0 C--O 1.248 1.024 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 1 O-C-N 87.401 -22.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.83 -39.2 80.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.432 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -175.44 29.54 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.763 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 37.1 p90 -152.11 165.25 17.88 Favored Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 113.488 -1.687 . . . . 0.0 110.679 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.844 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.7 Cg_exo -60.37 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.059 2.506 . . . . 0.0 111.745 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 53.4 p-90 153.98 -37.57 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.675 1.19 . . . . 0.0 108.541 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 43.7 p-90 -86.21 -6.94 58.88 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.802 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -83.18 -28.14 0.43 Allowed Pre-proline 0 N--CA 1.426 -1.644 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -174.002 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.828 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 84.2 Cg_endo -72.94 -17.76 24.96 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 N-CA-C 106.016 -2.34 . . . . 0.0 106.016 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.772 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.1 t80 -78.58 -47.54 16.97 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 109.948 -3.296 . . . . 0.0 112.479 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -76.39 -37.71 56.77 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.018 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.709 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 4.5 ptp180 -55.83 -58.36 8.19 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.709 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 54.0 mmt-85 -81.1 -52.64 7.16 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.38 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 118.293 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 9.9 mpt_? -67.78 129.07 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' A' ' 3' ' ' ARG . 9.4 tpt180 179.44 33.15 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.24 167.68 3.25 Favored Pre-proline 0 N--CA 1.432 -1.353 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.459 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 25.8 Cg_exo -60.35 -73.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.123 2.549 . . . . 0.0 111.423 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.588 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.6 p-90 153.58 -37.26 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 109.552 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.4 p-90 -86.04 -16.15 39.09 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.334 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -75.21 -30.63 1.0 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.988 -1.46 . . . . 0.0 114.611 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.707 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.1 Cg_endo -90.21 37.02 0.34 Allowed 'Trans proline' 0 CA--C 1.494 -1.493 0 C-N-CA 123.107 2.538 . . . . 0.0 106.049 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 22.6 t80 -141.77 -43.43 0.35 Allowed 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 111.902 -2.408 . . . . 0.0 110.644 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 8' ' ' TRP . 2.1 pt? -75.45 -28.96 59.52 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.9 mtp85 -48.79 -49.92 36.54 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.246 0.546 . . . . 0.0 110.361 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -174.49 -1.36 0.01 OUTLIER 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.165 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.567 0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.482 ' HE ' ' HE1' ' A' ' 4' ' ' PHE . 87.6 mtm180 -148.94 -40.64 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -177.1 32.77 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.395 1.093 . . . . 0.0 108.262 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 22.7 p90 -162.26 166.14 14.54 Favored Pre-proline 0 N--CA 1.429 -1.478 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.959 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.873 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.0 Cg_exo -60.47 -76.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 122.966 2.444 . . . . 0.0 111.851 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.578 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 38.8 p-90 154.52 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.537 1.135 . . . . 0.0 108.818 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.0 p-90 -85.98 -12.72 49.65 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.473 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.889 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -79.41 -29.7 0.6 Allowed Pre-proline 0 N--CA 1.426 -1.637 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.752 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -87.62 38.24 0.5 Allowed 'Trans proline' 0 CA--C 1.495 -1.437 0 N-CA-C 105.574 -2.51 . . . . 0.0 105.574 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 17.0 t80 -142.64 -45.79 0.32 Allowed 'General case' 0 N--CA 1.422 -1.857 0 CA-C-N 111.615 -2.538 . . . . 0.0 110.509 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.889 HD22 ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -77.87 -15.71 58.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 110.125 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 47.2 mtp85 -48.62 -40.57 28.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.002 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -170.32 13.47 0.02 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.698 -1.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -58.02 129.76 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 178.66 26.55 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 21.1 p90 -170.1 165.44 5.72 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.807 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.0 Cg_exo -62.47 -73.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 123.499 2.799 . . . . 0.0 112.024 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.4 p-90 154.36 -36.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.436 1.094 . . . . 0.0 109.41 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.758 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.0 p-90 -86.18 -15.25 41.56 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.55 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -30.14 0.72 Allowed Pre-proline 0 N--CA 1.431 -1.421 0 CA-C-N 114.137 -1.392 . . . . 0.0 114.401 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -80.83 -16.33 10.23 Favored 'Trans proline' 0 CA--C 1.499 -1.261 0 C-N-CA 122.157 1.905 . . . . 0.0 107.173 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.758 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 4.0 t80 -66.19 -33.39 75.65 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 111.279 -2.691 . . . . 0.0 109.113 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.871 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 mm? -65.57 -41.33 93.06 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 65.9 mtm180 -50.9 -56.81 10.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.511 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.4 mmt-85 -81.96 -7.51 59.61 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.491 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 O-C-N 116.352 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.624 0.249 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 64.48 125.57 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.285 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 6.2 tpm_? -174.48 35.36 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.829 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.7 p90 -169.53 164.92 6.52 Favored Pre-proline 0 N--CA 1.429 -1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.858 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.4 Cg_exo -60.94 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.271 2.647 . . . . 0.0 111.904 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.7 p-90 153.54 -36.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.98 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.739 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 46.0 p-90 -85.75 -12.35 51.29 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.715 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.858 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -79.69 -28.7 0.54 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -174.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.753 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -86.84 40.08 0.66 Allowed 'Trans proline' 0 CA--C 1.495 -1.428 0 N-CA-C 105.645 -2.483 . . . . 0.0 105.645 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.739 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 14.5 t80 -144.4 -43.33 0.25 Allowed 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.746 -2.479 . . . . 0.0 110.528 -173.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.821 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -80.79 -20.83 41.7 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.312 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 78.9 mtp180 -50.32 -42.38 52.71 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 5.7 ppt_? -168.08 9.05 0.02 OUTLIER 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.187 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 119.205 -2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 59.48 53.48 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.762 ' HG3' ' HD1' ' A' ' 4' ' ' PHE . 15.8 ptm180 -173.12 -3.32 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 31.6 p90 -170.69 156.69 5.17 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.43 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.839 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.3 Cg_exo -58.87 -73.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 123.188 2.592 . . . . 0.0 112.036 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.9 p-90 151.53 -36.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.785 1.234 . . . . 0.0 108.778 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 42.7 p-90 -87.2 -9.78 54.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.174 -1.376 . . . . 0.0 109.519 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.839 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.5 OUTLIER -80.36 -27.44 0.47 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -174.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 45.9 Cg_endo -88.03 37.43 0.45 Allowed 'Trans proline' 0 CA--C 1.496 -1.393 0 N-CA-C 105.562 -2.515 . . . . 0.0 105.562 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.0 t80 -141.16 -43.09 0.38 Allowed 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 111.398 -2.637 . . . . 0.0 110.364 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.835 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.9 pt? -80.81 -23.0 39.52 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.157 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.8 mtp85 -44.37 -43.18 7.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 6.3 ppt_? -170.94 13.48 0.02 OUTLIER 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.789 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 1 O-C-N 90.199 -20.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 1' ' ' VAL . 16.4 t . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.291 0.567 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.508 ' HA ' HH11 ' A' ' 2' ' ' ARG . 2.8 mmm180 -60.43 -38.62 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 3' ' ' ARG . 32.8 ptt85 -175.65 34.4 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 122.037 0.922 . . . . 0.0 108.555 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.859 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -157.69 164.89 19.99 Favored Pre-proline 0 N--CA 1.432 -1.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.158 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.824 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.3 Cg_exo -57.34 -75.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 111.336 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 152.37 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 109.049 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.738 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.0 p-90 -87.25 -14.34 41.29 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.207 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.907 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.49 -29.51 0.86 Allowed Pre-proline 0 N--CA 1.436 -1.154 0 CA-C-N 114.3 -1.318 . . . . 0.0 114.355 -175.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.1 Cg_endo -90.16 11.82 2.66 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 C-N-CA 122.967 2.445 . . . . 0.0 106.84 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.738 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.5 t80 -111.3 -43.53 3.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.639 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -77.05 -24.57 51.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.738 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 42.0 mtp85 -48.88 -57.42 6.46 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.1 -14.91 59.3 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.509 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 116.402 -3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -65.88 128.52 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -179.91 30.66 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -164.65 167.92 9.55 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 113.46 -1.7 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.854 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.3 Cg_exo -58.89 -74.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.226 2.618 . . . . 0.0 111.554 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.9 p-90 155.32 -36.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.156 0.982 . . . . 0.0 109.32 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.8 p-90 -88.0 -16.47 33.61 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.4 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -76.55 -28.14 0.67 Allowed Pre-proline 0 N--CA 1.434 -1.251 0 CA-C-N 114.148 -1.387 . . . . 0.0 114.188 -175.28 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.669 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 66.5 Cg_endo -79.54 -22.33 8.05 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 C-N-CA 122.208 1.939 . . . . 0.0 107.391 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 3.4 t80 -60.97 -29.41 69.65 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 111.118 -2.764 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -75.67 -55.72 5.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 110.213 178.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.656 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.4 ptt180 -62.09 -59.34 5.21 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.587 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.656 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 mmt180 -85.07 -20.67 30.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 1 O-C-N 108.375 -8.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 64.7 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.57 0.224 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 2' ' ' ARG . 42.9 mmm-85 57.86 53.93 6.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 11.7 tpt180 -171.33 41.85 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.9 p90 -160.36 165.48 17.5 Favored Pre-proline 0 N--CA 1.429 -1.522 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.226 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.857 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -60.94 -74.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.624 0 C-N-CA 123.337 2.691 . . . . 0.0 111.918 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 42.1 p-90 154.09 -37.03 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.616 1.166 . . . . 0.0 109.135 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.1 p-90 -86.25 -13.13 47.71 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.66 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.038 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -77.73 -29.21 0.66 Allowed Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.62 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 70.1 Cg_endo -89.49 31.46 0.38 Allowed 'Trans proline' 0 CA--C 1.495 -1.441 0 N-CA-C 105.634 -2.487 . . . . 0.0 105.634 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.3 t80 -138.24 -45.72 0.51 Allowed 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 111.375 -2.648 . . . . 0.0 110.505 -174.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.038 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -73.55 -37.18 65.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.179 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 2.9 ptp180 -60.82 -49.06 79.02 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.64 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 63.1 mtt85 -154.33 -22.42 0.13 Allowed 'General case' 0 C--O 1.25 1.113 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.548 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 1 O-C-N 80.487 -26.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -72.83 137.57 45.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 42.8 ttt85 -176.74 0.83 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.807 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 27.5 p90 -171.84 158.62 4.5 Favored Pre-proline 0 N--CA 1.428 -1.531 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.67 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.83 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_exo -57.84 -73.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 111.933 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 35.7 p-90 150.97 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.838 1.255 . . . . 0.0 108.709 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 40.9 p-90 -87.78 -8.72 55.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.572 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.005 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -80.6 -26.73 0.44 Allowed Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -174.489 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.757 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_endo -89.93 26.86 0.5 Allowed 'Trans proline' 0 CA--C 1.496 -1.403 0 N-CA-C 105.704 -2.46 . . . . 0.0 105.704 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 26.1 t80 -131.43 -42.9 1.04 Allowed 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 110.837 -2.892 . . . . 0.0 110.087 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.005 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.2 pt? -79.3 -34.87 42.03 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 1.9 ptp180 -61.47 -50.24 73.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 2.8 tmm_? -71.78 -13.67 61.77 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.662 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 1 O-C-N 101.258 -13.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.721 0.296 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 28.9 ttm180 -60.92 -58.18 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 32.2 ptt180 179.79 37.34 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.575 0.702 . . . . 0.0 109.549 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.4 p90 -151.57 155.89 34.4 Favored Pre-proline 0 N--CA 1.434 -1.261 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.556 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 58.0 Cg_endo -67.16 -66.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 123.34 2.694 . . . . 0.0 112.022 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.1 p-90 152.12 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.225 1.01 . . . . 0.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.1 p-90 -85.46 -10.76 55.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.339 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.029 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.4 p-90 -78.07 -27.97 0.58 Allowed Pre-proline 0 N--CA 1.434 -1.254 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -88.2 11.34 3.13 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 C-N-CA 122.71 2.273 . . . . 0.0 106.48 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 60.7 t80 -111.6 -41.99 3.95 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.818 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.029 HD22 ' HA ' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -83.34 -14.35 53.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.985 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.765 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 13.6 mtp-105 -50.68 -58.69 5.26 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -84.07 -7.98 59.24 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.719 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 1 O-C-N 73.019 -31.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 3' ' ' ARG . 16.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 2' ' ' ARG . 10.5 tpt180 63.0 52.33 2.62 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.739 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.745 ' HG2' HG12 ' A' ' 1' ' ' VAL . 10.6 ptp180 -179.85 40.0 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.528 0.68 . . . . 0.0 109.973 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -152.32 153.99 31.54 Favored Pre-proline 0 N--CA 1.438 -1.053 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.678 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CG ' ' HB3' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -65.01 -65.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.327 -0.599 0 C-N-CA 123.341 2.694 . . . . 0.0 112.252 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 56.7 p-90 153.25 -35.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.178 0.991 . . . . 0.0 109.931 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.5 p-90 -87.28 -14.57 40.56 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.348 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.846 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.26 -27.85 0.89 Allowed Pre-proline 0 CA--C 1.557 1.249 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 36.9 Cg_endo -85.77 -14.8 5.18 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 C-N-CA 122.576 2.184 . . . . 0.0 107.517 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.772 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.2 t80 -68.01 -34.75 77.1 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.505 -2.589 . . . . 0.0 109.522 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.96 -42.61 72.95 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.298 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 36.8 mtp85 -48.49 -82.87 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.732 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -71.9 -13.1 61.56 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.655 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 1 O-C-N 102.49 -12.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.57 0.224 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 60.57 67.51 0.83 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 28.3 tpt180 -168.32 43.58 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 25.2 p90 -158.37 166.69 15.97 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.522 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.837 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.4 Cg_exo -59.78 -74.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.536 2.824 . . . . 0.0 111.576 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 54.1 p-90 154.71 -37.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.249 1.02 . . . . 0.0 109.539 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.4 p-90 -86.68 -17.81 32.83 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.538 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -73.23 -30.74 1.29 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.948 -1.478 . . . . 0.0 114.276 -175.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.752 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 64.5 Cg_endo -86.66 -12.59 5.27 Favored 'Trans proline' 0 CA--C 1.501 -1.155 0 C-N-CA 122.925 2.417 . . . . 0.0 107.761 178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.4 t80 -70.76 -31.19 67.92 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 111.614 -2.539 . . . . 0.0 109.57 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.822 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -72.72 -53.37 11.87 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.67 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.0 ptt180 -66.03 -59.3 3.94 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.609 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.67 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 90.0 mtm180 -95.33 -44.72 7.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 1 O-C-N 97.819 -15.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -66.42 132.13 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' H ' ' H ' ' A' ' 4' ' ' PHE . 19.7 tpp180 -177.2 -1.01 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.914 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.28 161.19 4.32 Favored Pre-proline 0 N--CA 1.425 -1.702 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.534 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.889 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 38.7 Cg_exo -61.52 -73.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 123.321 2.681 . . . . 0.0 112.264 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 37.8 p-90 152.65 -35.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.681 1.193 . . . . 0.0 108.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.784 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.9 p-90 -85.28 -12.37 52.58 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.384 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.914 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -82.59 -30.47 0.5 Allowed Pre-proline 0 N--CA 1.428 -1.567 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.58 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.785 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -79.62 -5.59 14.11 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 83.9 t80 -88.18 -43.08 11.88 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 110.555 -3.02 . . . . 0.0 110.456 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -93.97 18.47 10.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.476 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' NE ' ' HA ' ' A' ' 9' ' ' PRO . 91.0 mtt-85 -57.46 -48.58 78.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.422 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.28 -5.16 25.78 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 1 O-C-N 107.474 -9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -158.06 54.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.195 0.521 . . . . 0.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 2.5 tpm_? -168.55 42.08 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.882 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.8 p90 -103.31 163.23 17.88 Favored Pre-proline 0 N--CA 1.428 -1.537 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.824 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.792 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.9 Cg_exo -56.39 -73.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.372 2.715 . . . . 0.0 111.569 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.604 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 150.14 -36.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.541 1.137 . . . . 0.0 109.123 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.736 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.5 p-90 -87.28 -15.38 38.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.264 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.932 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -74.49 -29.8 0.99 Allowed Pre-proline 0 N--CA 1.437 -1.095 0 CA-C-N 114.174 -1.375 . . . . 0.0 114.294 -175.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.667 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.0 Cg_endo -93.01 22.09 0.61 Allowed 'Trans proline' 0 CA--C 1.497 -1.371 0 C-N-CA 123.282 2.655 . . . . 0.0 106.488 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.736 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 48.2 t80 -123.99 -44.36 2.06 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 111.197 -2.729 . . . . 0.0 110.122 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -76.65 -17.57 59.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.26 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 75.6 mtp180 -47.44 -57.13 5.69 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 12.3 mtp-105 -80.75 -7.02 59.25 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.537 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 86.008 -22.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -172.19 136.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.413 HH11 ' HG3' ' A' ' 3' ' ' ARG . 7.6 ptm180 -179.72 28.06 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.859 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.1 p90 -165.06 167.2 9.98 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 113.592 -1.64 . . . . 0.0 110.891 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -62.82 -73.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 123.424 2.749 . . . . 0.0 111.935 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.3 p-90 154.29 -36.74 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.432 1.093 . . . . 0.0 109.329 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.7 p-90 -85.37 -14.62 45.8 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.699 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.899 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.48 -29.58 0.64 Allowed Pre-proline 0 N--CA 1.428 -1.534 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -174.478 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.761 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 59.8 Cg_endo -86.51 39.89 0.67 Allowed 'Trans proline' 0 CA--C 1.495 -1.442 0 N-CA-C 105.721 -2.453 . . . . 0.0 105.721 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.5 t80 -145.51 -45.21 0.21 Allowed 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 111.741 -2.482 . . . . 0.0 110.499 -173.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.899 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -81.06 -35.92 31.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 40.9 ptt85 -58.88 -38.34 78.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.538 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.33 -34.51 73.92 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.4 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 116.153 -4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.515 0.198 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -170.86 138.0 1.3 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.596 0.236 . . . . 0.0 110.588 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -176.17 26.01 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 122.013 0.911 . . . . 0.0 108.669 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.5 p90 -169.21 164.83 6.88 Favored Pre-proline 0 N--CA 1.428 -1.548 0 CA-C-N 113.802 -1.545 . . . . 0.0 110.624 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 37.3 Cg_exo -61.11 -74.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 123.23 2.62 . . . . 0.0 111.965 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.0 p-90 153.48 -36.72 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.594 1.158 . . . . 0.0 109.144 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.735 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.5 p-90 -85.99 -14.06 45.7 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.486 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.002 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -77.58 -29.75 0.71 Allowed Pre-proline 0 N--CA 1.428 -1.573 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -174.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.737 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -88.96 36.53 0.39 Allowed 'Trans proline' 0 CA--C 1.495 -1.443 0 N-CA-C 105.681 -2.469 . . . . 0.0 105.681 177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.8 t80 -142.09 -45.71 0.34 Allowed 'General case' 0 N--CA 1.423 -1.808 0 CA-C-N 111.479 -2.601 . . . . 0.0 110.447 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.002 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -77.12 -35.75 56.06 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.691 ' HE ' ' HA ' ' A' ' 9' ' ' PRO . 32.7 ptt180 -61.77 -45.95 91.66 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.53 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 55.1 mmt-85 -66.49 -25.54 66.75 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.714 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.013 0.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.589 HG12 ' HG3' ' A' ' 2' ' ' ARG . 64.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.63 0.252 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.589 ' HG3' HG12 ' A' ' 1' ' ' VAL . 74.9 mtt-85 -151.11 -44.03 0.12 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -175.68 24.66 0.0 OUTLIER 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 12.7 p90 -166.19 164.72 10.96 Favored Pre-proline 0 N--CA 1.431 -1.402 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.513 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 39.0 Cg_exo -58.46 -73.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.319 2.679 . . . . 0.0 111.442 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.609 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.3 p-90 151.85 -36.54 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.418 1.087 . . . . 0.0 109.325 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.736 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 60.1 p-90 -86.99 -15.02 39.97 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.362 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.917 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -74.93 -29.9 0.95 Allowed Pre-proline 0 N--CA 1.438 -1.05 0 CA-C-N 114.058 -1.428 . . . . 0.0 114.43 -175.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -91.48 15.75 1.64 Allowed 'Trans proline' 0 CA--C 1.5 -1.196 0 C-N-CA 123.135 2.557 . . . . 0.0 106.591 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.736 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 47.4 t80 -116.87 -44.96 2.79 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.18 -2.737 . . . . 0.0 110.528 -176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -74.69 -33.77 62.52 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.358 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.654 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 3.1 ptp180 -56.32 -54.01 50.56 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 7.3 ptm180 -73.06 -28.79 62.52 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 1 O-C-N 111.532 -6.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.734 HG12 ' HG2' ' A' ' 2' ' ' ARG . 90.4 t . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.379 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.734 ' HG2' HG12 ' A' ' 1' ' ' VAL . 53.8 mmt-85 64.07 125.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 3' ' ' ARG . 23.9 ptt-85 -177.74 21.15 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -166.68 164.77 10.2 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-N 113.635 -1.62 . . . . 0.0 110.789 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.885 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 36.1 Cg_exo -61.18 -73.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.725 0 C-N-CA 123.202 2.602 . . . . 0.0 111.949 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 46.8 p-90 153.4 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.507 1.123 . . . . 0.0 109.06 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.726 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.3 p-90 -85.93 -13.66 47.07 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.624 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.939 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -78.35 -29.35 0.64 Allowed Pre-proline 0 N--CA 1.427 -1.596 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -174.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 67.7 Cg_endo -88.4 36.98 0.42 Allowed 'Trans proline' 0 CA--C 1.495 -1.453 0 N-CA-C 105.67 -2.473 . . . . 0.0 105.67 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 24.2 t80 -142.88 -43.51 0.3 Allowed 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 111.558 -2.564 . . . . 0.0 110.621 -173.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.939 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -79.2 -38.55 35.48 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.415 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.655 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.9 ptm180 -65.19 -51.44 61.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.128 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.655 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 33.1 tpt85 -82.28 -34.49 28.69 Favored 'General case' 0 C--O 1.249 1.039 0 CA-C-O 118.087 -0.959 . . . . 0.0 111.126 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 119.625 -1.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.83 0.348 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HG3' HH11 ' A' ' 2' ' ' ARG . 46.9 ttm-85 -169.51 109.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.706 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.422 HH11 ' HB2' ' A' ' 3' ' ' ARG . 2.5 ptp180 175.59 34.15 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.876 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.9 p90 -164.88 166.6 10.86 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 113.921 -1.491 . . . . 0.0 111.319 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.845 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.2 Cg_exo -57.66 -74.98 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.201 2.601 . . . . 0.0 111.442 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.602 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 41.2 p-90 152.19 -36.65 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.497 1.119 . . . . 0.0 108.956 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.765 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 57.3 p-90 -86.84 -13.79 43.97 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.42 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.876 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -77.25 -29.96 0.74 Allowed Pre-proline 0 N--CA 1.435 -1.182 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.202 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.9 Cg_endo -88.82 7.04 4.45 Favored 'Trans proline' 0 CA--C 1.499 -1.239 0 C-N-CA 122.839 2.359 . . . . 0.0 106.731 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.765 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 49.5 t80 -103.28 -42.92 5.59 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 110.934 -2.848 . . . . 0.0 110.712 -177.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.778 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -79.68 -37.8 35.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 15.8 ptm180 -63.3 -41.97 99.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 7.6 ptm180 -168.99 18.43 0.02 OUTLIER 'General case' 0 C--O 1.248 1.024 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.982 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 1 O-C-N 87.401 -22.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.797 0.332 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -58.83 -39.2 80.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.432 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -175.44 29.54 0.0 OUTLIER 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.763 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 37.1 p90 -152.11 165.25 17.88 Favored Pre-proline 0 N--CA 1.427 -1.608 0 CA-C-N 113.488 -1.687 . . . . 0.0 110.679 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.844 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.7 Cg_exo -60.37 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 123.059 2.506 . . . . 0.0 111.745 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.549 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 53.4 p-90 153.98 -37.57 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.675 1.19 . . . . 0.0 108.541 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 43.7 p-90 -86.21 -6.94 58.88 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.802 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.844 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.3 OUTLIER -83.18 -28.14 0.43 Allowed Pre-proline 0 N--CA 1.426 -1.644 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -174.002 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.828 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 84.2 Cg_endo -72.94 -17.76 24.96 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 N-CA-C 106.016 -2.34 . . . . 0.0 106.016 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.772 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.1 t80 -78.58 -47.54 16.97 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 109.948 -3.296 . . . . 0.0 112.479 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 8' ' ' TRP . 0.9 OUTLIER -76.39 -37.71 56.77 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.018 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.709 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 4.5 ptp180 -55.83 -58.36 8.19 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.709 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 54.0 mmt-85 -81.1 -52.64 7.16 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.38 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 118.293 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.461 ' N ' ' HD2' ' A' ' 2' ' ' ARG . 9.9 mpt_? -67.78 129.07 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' A' ' 3' ' ' ARG . 9.4 tpt180 179.44 33.15 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.24 167.68 3.25 Favored Pre-proline 0 N--CA 1.432 -1.353 0 CA-C-N 113.436 -1.711 . . . . 0.0 110.459 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 25.8 Cg_exo -60.35 -73.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.123 2.549 . . . . 0.0 111.423 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.588 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.6 p-90 153.58 -37.26 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.26 1.024 . . . . 0.0 109.552 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.4 p-90 -86.04 -16.15 39.09 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.334 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -75.21 -30.63 1.0 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.988 -1.46 . . . . 0.0 114.611 -175.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.707 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.1 Cg_endo -90.21 37.02 0.34 Allowed 'Trans proline' 0 CA--C 1.494 -1.493 0 C-N-CA 123.107 2.538 . . . . 0.0 106.049 177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 22.6 t80 -141.77 -43.43 0.35 Allowed 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 111.902 -2.408 . . . . 0.0 110.644 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.82 HD22 ' HA ' ' A' ' 8' ' ' TRP . 2.1 pt? -75.45 -28.96 59.52 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.701 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.9 mtp85 -48.79 -49.92 36.54 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.246 0.546 . . . . 0.0 110.361 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -174.49 -1.36 0.01 OUTLIER 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.165 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.567 0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.482 ' HE ' ' HE1' ' A' ' 4' ' ' PHE . 87.6 mtm180 -148.94 -40.64 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -177.1 32.77 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.395 1.093 . . . . 0.0 108.262 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 22.7 p90 -162.26 166.14 14.54 Favored Pre-proline 0 N--CA 1.429 -1.478 0 CA-C-N 113.032 -1.894 . . . . 0.0 109.959 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.873 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.0 Cg_exo -60.47 -76.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 122.966 2.444 . . . . 0.0 111.851 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.578 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 38.8 p-90 154.52 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.537 1.135 . . . . 0.0 108.818 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.0 p-90 -85.98 -12.72 49.65 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-N 114.157 -1.383 . . . . 0.0 109.473 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.889 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -79.41 -29.7 0.6 Allowed Pre-proline 0 N--CA 1.426 -1.637 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.752 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 57.6 Cg_endo -87.62 38.24 0.5 Allowed 'Trans proline' 0 CA--C 1.495 -1.437 0 N-CA-C 105.574 -2.51 . . . . 0.0 105.574 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 17.0 t80 -142.64 -45.79 0.32 Allowed 'General case' 0 N--CA 1.422 -1.857 0 CA-C-N 111.615 -2.538 . . . . 0.0 110.509 -173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.889 HD22 ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -77.87 -15.71 58.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.798 0.333 . . . . 0.0 110.125 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 47.2 mtp85 -48.62 -40.57 28.14 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.002 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -170.32 13.47 0.02 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 120.698 -1.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -58.02 129.76 43.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 178.66 26.55 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.029 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 21.1 p90 -170.1 165.44 5.72 Favored Pre-proline 0 N--CA 1.428 -1.569 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.807 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.0 Cg_exo -62.47 -73.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 123.499 2.799 . . . . 0.0 112.024 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.4 p-90 154.36 -36.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.436 1.094 . . . . 0.0 109.41 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.758 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.0 p-90 -86.18 -15.25 41.56 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.453 -1.249 . . . . 0.0 109.55 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -77.87 -30.14 0.72 Allowed Pre-proline 0 N--CA 1.431 -1.421 0 CA-C-N 114.137 -1.392 . . . . 0.0 114.401 -174.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 61.5 Cg_endo -80.83 -16.33 10.23 Favored 'Trans proline' 0 CA--C 1.499 -1.261 0 C-N-CA 122.157 1.905 . . . . 0.0 107.173 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.758 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 4.0 t80 -66.19 -33.39 75.65 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 111.279 -2.691 . . . . 0.0 109.113 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.871 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 mm? -65.57 -41.33 93.06 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 65.9 mtm180 -50.9 -56.81 10.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.511 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.4 mmt-85 -81.96 -7.51 59.61 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.491 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 O-C-N 116.352 -3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.624 0.249 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 64.48 125.57 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.285 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 6.2 tpm_? -174.48 35.36 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.829 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.7 p90 -169.53 164.92 6.52 Favored Pre-proline 0 N--CA 1.429 -1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.74 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.858 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 34.4 Cg_exo -60.94 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 123.271 2.647 . . . . 0.0 111.904 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.7 p-90 153.54 -36.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.98 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.739 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 46.0 p-90 -85.75 -12.35 51.29 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.715 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.858 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -79.69 -28.7 0.54 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -174.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.753 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -86.84 40.08 0.66 Allowed 'Trans proline' 0 CA--C 1.495 -1.428 0 N-CA-C 105.645 -2.483 . . . . 0.0 105.645 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.739 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 14.5 t80 -144.4 -43.33 0.25 Allowed 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 111.746 -2.479 . . . . 0.0 110.528 -173.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.821 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 2.0 pt? -80.79 -20.83 41.7 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.312 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 78.9 mtp180 -50.32 -42.38 52.71 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 5.7 ppt_? -168.08 9.05 0.02 OUTLIER 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.187 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 119.205 -2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.824 0.345 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 59.48 53.48 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.329 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.762 ' HG3' ' HD1' ' A' ' 4' ' ' PHE . 15.8 ptm180 -173.12 -3.32 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 31.6 p90 -170.69 156.69 5.17 Favored Pre-proline 0 N--CA 1.432 -1.361 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.43 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.839 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 32.3 Cg_exo -58.87 -73.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.321 -0.906 0 C-N-CA 123.188 2.592 . . . . 0.0 112.036 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 43.9 p-90 151.53 -36.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.785 1.234 . . . . 0.0 108.778 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 42.7 p-90 -87.2 -9.78 54.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.174 -1.376 . . . . 0.0 109.519 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.839 ' CD1' ' HD2' ' A' ' 5' ' ' PRO . 0.5 OUTLIER -80.36 -27.44 0.47 Allowed Pre-proline 0 N--CA 1.426 -1.643 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -174.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.758 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 45.9 Cg_endo -88.03 37.43 0.45 Allowed 'Trans proline' 0 CA--C 1.496 -1.393 0 N-CA-C 105.562 -2.515 . . . . 0.0 105.562 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.0 t80 -141.16 -43.09 0.38 Allowed 'General case' 0 N--CA 1.423 -1.803 0 CA-C-N 111.398 -2.637 . . . . 0.0 110.364 -173.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.835 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.9 pt? -80.81 -23.0 39.52 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.157 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 41.8 mtp85 -44.37 -43.18 7.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 6.3 ppt_? -170.94 13.48 0.02 OUTLIER 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.789 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 1 O-C-N 90.199 -20.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 1' ' ' VAL . 16.4 t . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.291 0.567 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.508 ' HA ' HH11 ' A' ' 2' ' ' ARG . 2.8 mmm180 -60.43 -38.62 84.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.813 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 3' ' ' ARG . 32.8 ptt85 -175.65 34.4 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 122.037 0.922 . . . . 0.0 108.555 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.859 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -157.69 164.89 19.99 Favored Pre-proline 0 N--CA 1.432 -1.332 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.158 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.824 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.3 Cg_exo -57.34 -75.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 111.336 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 152.37 -36.33 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 109.049 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.738 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.0 p-90 -87.25 -14.34 41.29 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 114.207 -1.361 . . . . 0.0 109.207 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.907 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.49 -29.51 0.86 Allowed Pre-proline 0 N--CA 1.436 -1.154 0 CA-C-N 114.3 -1.318 . . . . 0.0 114.355 -175.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 56.1 Cg_endo -90.16 11.82 2.66 Favored 'Trans proline' 0 CA--C 1.499 -1.26 0 C-N-CA 122.967 2.445 . . . . 0.0 106.84 178.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.738 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.5 t80 -111.3 -43.53 3.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 111.074 -2.785 . . . . 0.0 110.639 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -77.05 -24.57 51.99 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.884 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.738 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 42.0 mtp85 -48.88 -57.42 6.46 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.744 0.307 . . . . 0.0 110.81 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.1 -14.91 59.3 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.509 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 116.402 -3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -65.88 128.52 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -179.91 30.66 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.866 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 23.0 p90 -164.65 167.92 9.55 Favored Pre-proline 0 N--CA 1.431 -1.403 0 CA-C-N 113.46 -1.7 . . . . 0.0 110.804 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.854 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.3 Cg_exo -58.89 -74.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.226 2.618 . . . . 0.0 111.554 178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.9 p-90 155.32 -36.17 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.156 0.982 . . . . 0.0 109.32 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.8 p-90 -88.0 -16.47 33.61 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.054 -1.43 . . . . 0.0 109.4 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.866 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -76.55 -28.14 0.67 Allowed Pre-proline 0 N--CA 1.434 -1.251 0 CA-C-N 114.148 -1.387 . . . . 0.0 114.188 -175.28 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.669 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 66.5 Cg_endo -79.54 -22.33 8.05 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 C-N-CA 122.208 1.939 . . . . 0.0 107.391 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 3.4 t80 -60.97 -29.41 69.65 Favored 'General case' 0 N--CA 1.427 -1.623 0 CA-C-N 111.118 -2.764 . . . . 0.0 110.355 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.835 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -75.67 -55.72 5.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 110.213 178.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.656 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.4 ptt180 -62.09 -59.34 5.21 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.587 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.656 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 36.4 mmt180 -85.07 -20.67 30.02 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 1 O-C-N 108.375 -8.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 64.7 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.57 0.224 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 2' ' ' ARG . 42.9 mmm-85 57.86 53.93 6.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.719 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 11.7 tpt180 -171.33 41.85 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.845 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.9 p90 -160.36 165.48 17.5 Favored Pre-proline 0 N--CA 1.429 -1.522 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.226 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.857 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -60.94 -74.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.624 0 C-N-CA 123.337 2.691 . . . . 0.0 111.918 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 42.1 p-90 154.09 -37.03 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.616 1.166 . . . . 0.0 109.135 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 47.1 p-90 -86.25 -13.13 47.71 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.66 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.038 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -77.73 -29.21 0.66 Allowed Pre-proline 0 N--CA 1.427 -1.593 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.62 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 70.1 Cg_endo -89.49 31.46 0.38 Allowed 'Trans proline' 0 CA--C 1.495 -1.441 0 N-CA-C 105.634 -2.487 . . . . 0.0 105.634 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 39.3 t80 -138.24 -45.72 0.51 Allowed 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 111.375 -2.648 . . . . 0.0 110.505 -174.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.038 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.5 pt? -73.55 -37.18 65.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.179 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 2.9 ptp180 -60.82 -49.06 79.02 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.64 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 63.1 mtt85 -154.33 -22.42 0.13 Allowed 'General case' 0 C--O 1.25 1.113 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.548 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 1 O-C-N 80.487 -26.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.818 0.342 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -72.83 137.57 45.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 42.8 ttt85 -176.74 0.83 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.807 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 27.5 p90 -171.84 158.62 4.5 Favored Pre-proline 0 N--CA 1.428 -1.531 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.67 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.83 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_exo -57.84 -73.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 111.933 178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 35.7 p-90 150.97 -36.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.838 1.255 . . . . 0.0 108.709 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 40.9 p-90 -87.78 -8.72 55.6 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 114.163 -1.38 . . . . 0.0 109.572 179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.005 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -80.6 -26.73 0.44 Allowed Pre-proline 0 N--CA 1.425 -1.717 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -174.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.757 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 40.9 Cg_endo -89.93 26.86 0.5 Allowed 'Trans proline' 0 CA--C 1.496 -1.403 0 N-CA-C 105.704 -2.46 . . . . 0.0 105.704 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.741 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 26.1 t80 -131.43 -42.9 1.04 Allowed 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 110.837 -2.892 . . . . 0.0 110.087 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.005 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.2 pt? -79.3 -34.87 42.03 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.414 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 1.9 ptp180 -61.47 -50.24 73.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 2.8 tmm_? -71.78 -13.67 61.77 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.662 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 1 O-C-N 101.258 -13.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.721 0.296 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 28.9 ttm180 -60.92 -58.18 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 32.2 ptt180 179.79 37.34 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.575 0.702 . . . . 0.0 109.549 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.4 p90 -151.57 155.89 34.4 Favored Pre-proline 0 N--CA 1.434 -1.261 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.556 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.612 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 58.0 Cg_endo -67.16 -66.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 123.34 2.694 . . . . 0.0 112.022 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.59 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 48.1 p-90 152.12 -34.62 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.225 1.01 . . . . 0.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.1 p-90 -85.46 -10.76 55.69 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.339 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.029 ' HA ' HD22 ' A' ' 11' ' ' LEU . 1.4 p-90 -78.07 -27.97 0.58 Allowed Pre-proline 0 N--CA 1.434 -1.254 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -175.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -88.2 11.34 3.13 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 C-N-CA 122.71 2.273 . . . . 0.0 106.48 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 60.7 t80 -111.6 -41.99 3.95 Favored 'General case' 0 N--CA 1.421 -1.875 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.818 -177.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.029 HD22 ' HA ' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -83.34 -14.35 53.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.985 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.765 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 13.6 mtp-105 -50.68 -58.69 5.26 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.637 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -84.07 -7.98 59.24 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.719 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 1 O-C-N 73.019 -31.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.745 HG12 ' HG2' ' A' ' 3' ' ' ARG . 16.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 2' ' ' ARG . 10.5 tpt180 63.0 52.33 2.62 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.739 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.745 ' HG2' HG12 ' A' ' 1' ' ' VAL . 10.6 ptp180 -179.85 40.0 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.528 0.68 . . . . 0.0 109.973 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 20.5 p90 -152.32 153.99 31.54 Favored Pre-proline 0 N--CA 1.438 -1.053 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.678 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CG ' ' HB3' ' A' ' 8' ' ' TRP . 37.4 Cg_endo -65.01 -65.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.327 -0.599 0 C-N-CA 123.341 2.694 . . . . 0.0 112.252 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 56.7 p-90 153.25 -35.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.178 0.991 . . . . 0.0 109.931 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 49.5 p-90 -87.28 -14.57 40.56 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.348 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.846 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -73.26 -27.85 0.89 Allowed Pre-proline 0 CA--C 1.557 1.249 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 36.9 Cg_endo -85.77 -14.8 5.18 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 C-N-CA 122.576 2.184 . . . . 0.0 107.517 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.772 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.2 t80 -68.01 -34.75 77.1 Favored 'General case' 0 N--CA 1.426 -1.634 0 CA-C-N 111.505 -2.589 . . . . 0.0 109.522 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.96 -42.61 72.95 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 9' ' ' PRO . 36.8 mtp85 -48.49 -82.87 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.732 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -71.9 -13.1 61.56 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.655 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 1 O-C-N 102.49 -12.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.57 0.224 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 60.57 67.51 0.83 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' ARG . 28.3 tpt180 -168.32 43.58 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 25.2 p90 -158.37 166.69 15.97 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 114.193 -1.367 . . . . 0.0 111.522 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.837 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 33.4 Cg_exo -59.78 -74.66 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.536 2.824 . . . . 0.0 111.576 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 54.1 p-90 154.71 -37.07 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.249 1.02 . . . . 0.0 109.539 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 58.4 p-90 -86.68 -17.81 32.83 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.538 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -73.23 -30.74 1.29 Allowed Pre-proline 0 N--CA 1.436 -1.142 0 CA-C-N 113.948 -1.478 . . . . 0.0 114.276 -175.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.752 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 64.5 Cg_endo -86.66 -12.59 5.27 Favored 'Trans proline' 0 CA--C 1.501 -1.155 0 C-N-CA 122.925 2.417 . . . . 0.0 107.761 178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 11.4 t80 -70.76 -31.19 67.92 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-N 111.614 -2.539 . . . . 0.0 109.57 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.822 ' CD2' ' HA ' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -72.72 -53.37 11.87 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.67 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 32.0 ptt180 -66.03 -59.3 3.94 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.609 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.67 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 90.0 mtm180 -95.33 -44.72 7.45 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 1 O-C-N 97.819 -15.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -66.42 132.13 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.448 ' H ' ' H ' ' A' ' 4' ' ' PHE . 19.7 tpp180 -177.2 -1.01 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.914 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 18.8 p90 -172.28 161.19 4.32 Favored Pre-proline 0 N--CA 1.425 -1.702 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.534 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.889 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 38.7 Cg_exo -61.52 -73.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 123.321 2.681 . . . . 0.0 112.264 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 37.8 p-90 152.65 -35.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.681 1.193 . . . . 0.0 108.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.784 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.9 p-90 -85.28 -12.37 52.58 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.384 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.914 ' CD1' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -82.59 -30.47 0.5 Allowed Pre-proline 0 N--CA 1.428 -1.567 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -174.58 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.785 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 55.4 Cg_endo -79.62 -5.59 14.11 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 83.9 t80 -88.18 -43.08 11.88 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 110.555 -3.02 . . . . 0.0 110.456 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.865 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -93.97 18.47 10.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.476 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' NE ' ' HA ' ' A' ' 9' ' ' PRO . 91.0 mtt-85 -57.46 -48.58 78.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.422 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.28 -5.16 25.78 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 1 O-C-N 107.474 -9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -158.06 54.47 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.195 0.521 . . . . 0.0 110.332 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 2.5 tpm_? -168.55 42.08 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.882 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 16.8 p90 -103.31 163.23 17.88 Favored Pre-proline 0 N--CA 1.428 -1.537 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.824 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.792 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 31.9 Cg_exo -56.39 -73.12 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 123.372 2.715 . . . . 0.0 111.569 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.604 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 44.2 p-90 150.14 -36.81 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.541 1.137 . . . . 0.0 109.123 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.736 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 59.5 p-90 -87.28 -15.38 38.26 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.264 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.932 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -74.49 -29.8 0.99 Allowed Pre-proline 0 N--CA 1.437 -1.095 0 CA-C-N 114.174 -1.375 . . . . 0.0 114.294 -175.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.667 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 72.0 Cg_endo -93.01 22.09 0.61 Allowed 'Trans proline' 0 CA--C 1.497 -1.371 0 C-N-CA 123.282 2.655 . . . . 0.0 106.488 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.736 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 48.2 t80 -123.99 -44.36 2.06 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 111.197 -2.729 . . . . 0.0 110.122 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.6 pt? -76.65 -17.57 59.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.26 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 8' ' ' TRP . 75.6 mtp180 -47.44 -57.13 5.69 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 12.3 mtp-105 -80.75 -7.02 59.25 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.537 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 86.008 -22.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -172.19 136.4 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.413 HH11 ' HG3' ' A' ' 3' ' ' ARG . 7.6 ptm180 -179.72 28.06 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.859 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 24.1 p90 -165.06 167.2 9.98 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 113.592 -1.64 . . . . 0.0 110.891 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.872 ' HD2' ' CD1' ' A' ' 8' ' ' TRP . 35.6 Cg_exo -62.82 -73.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.326 -0.643 0 C-N-CA 123.424 2.749 . . . . 0.0 111.935 178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 49.3 p-90 154.29 -36.74 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.432 1.093 . . . . 0.0 109.329 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.734 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 48.7 p-90 -85.37 -14.62 45.8 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.699 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.899 ' HA ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -78.48 -29.58 0.64 Allowed Pre-proline 0 N--CA 1.428 -1.534 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -174.478 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.761 ' HD3' ' CD1' ' A' ' 8' ' ' TRP . 59.8 Cg_endo -86.51 39.89 0.67 Allowed 'Trans proline' 0 CA--C 1.495 -1.442 0 N-CA-C 105.721 -2.453 . . . . 0.0 105.721 177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 13.5 t80 -145.51 -45.21 0.21 Allowed 'General case' 0 N--CA 1.422 -1.854 0 CA-C-N 111.741 -2.482 . . . . 0.0 110.499 -173.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.899 HD22 ' HA ' ' A' ' 8' ' ' TRP . 1.8 pt? -81.06 -35.92 31.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 8' ' ' TRP . 40.9 ptt85 -58.88 -38.34 78.6 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.538 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -60.33 -34.51 73.92 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.4 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 116.153 -4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_