data_6dny_residue ############################ # Computer software used # ############################ 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 6dny _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 73.35 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.51 110.881 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 71.0 112.31 -0.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 73.43 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 64.02 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 73.34 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 75.11 112.335 -0.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.02 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 73.34 110.945 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 65.13 112.361 -0.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.42 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 74.23 110.944 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 74.43 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 75.11 110.97 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.4 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 75.43 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 75.34 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.54 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 72.42 110.935 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 72.34 112.368 -0.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.141 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 73.35 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.51 110.881 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 71.0 112.31 -0.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 73.43 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 64.02 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 73.34 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 75.11 112.335 -0.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 74.02 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 73.34 110.945 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 65.13 112.361 -0.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.42 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 74.23 110.944 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 74.43 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 75.11 110.97 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.4 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 75.43 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 75.34 110.939 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.54 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 72.42 110.935 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 72.34 112.368 -0.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.141 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 55.12 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.25 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 62.44 112.31 -0.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 51.04 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 63.12 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 61.22 110.913 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 71.42 112.335 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 64.4 110.945 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 61.21 112.361 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.24 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 64.1 110.944 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 40.2 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 73.04 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 70.11 110.97 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 71.12 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 54.13 110.939 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 61.33 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 71.4 110.935 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 71.32 112.368 -0.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 54.44 111.141 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 55.12 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.25 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 62.44 112.31 -0.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 51.04 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 63.12 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 61.22 110.913 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 71.42 112.335 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 64.4 110.945 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 61.21 112.361 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.24 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 64.1 110.944 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 40.2 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 73.04 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 70.11 110.97 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 71.12 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 54.13 110.939 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 61.33 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 71.4 110.935 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 71.32 112.368 -0.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 54.44 111.141 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 55.12 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.25 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 62.44 112.31 -0.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 51.04 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 63.12 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 61.22 110.913 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 71.42 112.335 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 64.4 110.945 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 61.21 112.361 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.24 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 64.1 110.944 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 40.2 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 73.04 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 70.11 110.97 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 71.12 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 54.13 110.939 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 61.33 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 71.4 110.935 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 71.32 112.368 -0.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 54.44 111.141 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.765 0.235 . . . . 55.12 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 14.0 t80 -151.76 82.3 5.6 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 71.25 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.2 Cg_endo -69.7 -29.26 5.79 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.668 -1.805 . . . . 62.44 112.31 -0.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 51.04 111.115 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.808 0.254 . . . . 63.12 112.361 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 22.4 t80 -151.83 82.27 5.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.757 . . . . 61.22 110.913 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.69 -29.22 5.8 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 -1.775 . . . . 71.42 112.335 -0.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 70.12 111.116 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.85 0.271 . . . . 73.23 112.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -151.8 82.22 5.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.704 0.764 . . . . 64.4 110.945 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.7 Cg_endo -69.74 -29.2 5.83 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 -1.806 . . . . 61.21 112.361 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.132 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.824 0.26 . . . . 75.24 112.352 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 1.7 t80 -151.81 82.22 5.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 72.31 110.939 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.0 Cg_endo -69.8 -29.16 5.87 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.649 -1.813 . . . . 74.12 112.337 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 74.31 111.158 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.244 . . . . 75.21 112.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.8 t80 -151.83 82.22 5.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.713 0.768 . . . . 64.1 110.944 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.1 Cg_endo -69.82 -29.17 5.87 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 -1.802 . . . . 74.22 112.316 0.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 40.2 111.161 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.772 0.238 . . . . 73.04 112.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 4.0 t80 -151.75 82.25 5.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.65 0.738 . . . . 73.34 110.887 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.78 -29.18 5.86 Favored 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.726 -1.781 . . . . 54.1 112.316 -0.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.123 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.834 0.264 . . . . 74.4 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 7.7 t80 -151.76 82.25 5.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 75.45 110.898 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.18 5.85 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 -1.778 . . . . 75.3 112.346 -0.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.122 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.8 0.25 . . . . 74.3 112.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 42.9 t80 -151.77 82.23 5.61 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.698 0.761 . . . . 70.11 110.97 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.1 Cg_endo -69.81 -29.12 5.9 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 -1.81 . . . . 70.32 112.367 0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.146 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.795 0.248 . . . . 71.12 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 9.4 t80 -151.76 82.28 5.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.674 0.749 . . . . 54.13 110.939 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 54.5 Cg_endo -69.7 -29.22 5.81 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 -1.789 . . . . 73.25 112.364 -0.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 61.33 111.127 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.766 0.236 . . . . 64.21 112.301 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' PRO . 8.2 t80 -151.76 82.24 5.61 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.713 0.768 . . . . 71.4 110.935 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 2' ' ' TYR . 53.6 Cg_endo -69.76 -29.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 -1.796 . . . . 71.32 112.368 -0.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 54.44 111.141 179.909 . . . . . . . . 0 0 . 1 stop_ save_