data_2m7c_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 2m7c _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo . . . . . 0 C--O 1.233 0.248 0 N-CA-C 112.617 0.199 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.564 0.178 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.609 0.17 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.636 0.255 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.442 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 CA--C 1.531 0.337 0 CA-C-O 120.425 0.094 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.628 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo . . . . . 0 CA--C 1.531 0.373 0 CA-C-O 120.47 0.112 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.628 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.644 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.416 0.09 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.644 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.599 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo . . . . . 0 CA--C 1.53 0.318 0 CA-C-O 120.416 0.09 . . . . 0.0 112.254 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 14.0 Cg_endo . . . . . 0 C--O 1.234 0.297 0 N-CA-C 112.578 0.184 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.637 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo . . . . . 0 CA--C 1.532 0.421 0 CA-C-O 120.526 0.136 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.637 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 C--O 1.233 0.254 0 N-CA-C 112.542 0.17 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo . . . . . 0 CA--C 1.53 0.321 0 N-CA-C 112.712 0.236 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo . . . . . 0 CA--C 1.53 0.308 0 CA-C-O 120.442 0.101 . . . . 0.0 112.195 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.557 0.218 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.622 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.468 0.112 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 CA--C 1.53 0.282 0 CA-C-O 120.59 0.163 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 120.558 0.218 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo . . . . . 0 CA--C 1.53 0.311 0 CA-C-O 120.561 0.15 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.6 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 112.488 0.149 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.6 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.264 0 CA-C-O 120.468 0.112 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.61 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo . . . . . 0 CA--C 1.531 0.328 0 CA-C-O 120.434 0.098 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.626 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.453 0.105 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.22 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo . . . . . 0 CA--C 1.529 0.238 0 N-CA-C 112.507 0.157 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 N-CA-C 112.519 0.161 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 120.546 0.144 . . . . 0.0 112.282 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.412 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 112.598 0.192 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.412 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.417 0.09 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.515 0.198 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo . . . . . 0 C--O 1.233 0.262 0 N-CA-C 112.565 0.179 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.247 0 CA-C-O 120.655 0.19 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.232 0.221 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 N-CA-C 112.45 0.135 . . . . 0.0 112.45 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 CA-C-O 120.523 0.135 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.615 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 120.378 0.074 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.615 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.619 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo . . . . . 0 CA--C 1.532 0.382 0 CA-C-O 120.496 0.123 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.619 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.311 0.115 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.03 164.32 17.17 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.548 2.165 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo -55.41 120.28 7.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.894 2.396 . . . . 0.0 112.617 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -46.95 136.91 7.89 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.462 . . . . . . . 0 C--O 1.233 0.225 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.36 23.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CB ' HB12 ' A' ' 7' ' ' AIB . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -89.73 18.18 5.82 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 -105.01 0.6 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.857 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.44 -31.05 70.09 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.509 0.195 . . . . 0.0 111.197 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.04 -16.43 64.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 34.9 t . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.485 0.183 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 82.3 Cg_endo -87.88 171.12 5.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.821 2.347 . . . . 0.0 112.408 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.89 108.9 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.915 2.41 . . . . 0.0 112.564 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 2' ' ' PRO . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' O ' HB12 ' A' ' 7' ' ' AIB . 65.9 t0 -39.69 132.48 1.65 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.445 HB12 ' O ' ' A' ' 6' ' ' ASP 2.53 . . . . . . . 0 C--O 1.233 0.194 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -58.12 9.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CB ' HB12 ' A' ' 7' ' ' AIB . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.66 11.53 14.94 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.44 -104.24 0.73 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.736 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -69.17 -29.75 67.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.498 0.189 . . . . 0.0 111.036 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.59 43.11 1.12 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.987 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.016 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.8 ptt85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.324 0.12 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 22.3 Cg_exo -62.54 167.32 11.7 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.425 2.083 . . . . 0.0 112.176 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo -54.45 113.4 1.34 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.862 2.374 . . . . 0.0 112.401 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.67 133.19 10.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.475 . . . . . . . 0 C--O 1.232 0.183 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.571 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.41 -56.37 22.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.388 0.675 . . . . 0.0 111.385 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' HB12 ' A' ' 7' ' ' AIB . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.65 -6.03 56.31 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.42 -112.78 5.17 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.69 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -71.37 -35.09 70.98 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.544 0.211 . . . . 0.0 110.907 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.81 42.77 1.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.945 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.955 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.605 0.24 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.74 163.33 12.21 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.835 2.356 . . . . 0.0 112.562 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -49.3 117.59 3.0 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.766 2.311 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -43.37 135.91 3.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.472 . . . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.33 36.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 18.18 5.1 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.45 -104.28 0.46 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.786 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -67.51 -26.73 66.48 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.04 41.4 1.07 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.713 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.98 -179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.627 0.251 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.47 164.82 16.53 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.813 2.342 . . . . 0.0 112.747 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.628 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo -51.24 118.83 4.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.416 ' O ' HB12 ' A' ' 7' ' ' AIB . 4.1 t70 -45.59 141.46 2.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.416 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -56.12 25.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.628 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.44 3.17 37.38 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.27 -107.82 2.22 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.509 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -71.86 -31.17 66.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.458 0.171 . . . . 0.0 111.065 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.06 41.98 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.686 0.279 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.39 167.39 10.44 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.931 2.421 . . . . 0.0 112.592 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.644 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -51.6 117.15 3.22 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.702 2.268 . . . . 0.0 112.259 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -43.38 136.88 2.95 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.409 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.447 . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -56.28 23.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.644 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -2.51 55.49 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 64.94 -107.99 2.13 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.506 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -73.12 -32.25 64.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.476 0.179 . . . . 0.0 111.162 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.5 41.88 1.09 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.855 0.36 . . . . 0.0 111.057 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.838 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.589 0.233 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.5 165.06 18.6 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.785 2.324 . . . . 0.0 112.886 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.599 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo -54.39 119.06 5.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' HB12 ' A' ' 7' ' ' AIB . 94.2 m-20 -51.47 150.37 3.69 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.48 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 C--O 1.233 0.204 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.98 26.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.121 0.263 . . . . 0.0 111.6 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -85.75 10.87 12.34 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.87 -105.39 0.59 Allowed Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.885 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -66.98 -26.93 67.05 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.95 40.13 1.01 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 33.1 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.01 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.673 0.273 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 84.7 Cg_endo -81.74 172.82 11.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.759 2.306 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 14.0 Cg_endo -58.56 112.62 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.874 2.383 . . . . 0.0 112.578 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -40.13 133.79 1.67 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.474 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.457 . . . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.62 11.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CB ' HB12 ' A' ' 7' ' ' AIB . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.451 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -3.31 53.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.84 -113.37 5.59 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.75 -31.46 68.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.499 0.19 . . . . 0.0 111.042 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.66 41.26 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.899 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.873 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.624 0.249 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.96 161.87 11.81 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 0.0 112.568 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.637 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo -48.66 117.34 2.62 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.661 2.24 . . . . 0.0 112.148 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.521 ' O ' HB12 ' A' ' 7' ' ' AIB . 95.8 m-20 -47.8 149.32 1.32 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.521 HB12 ' O ' ' A' ' 6' ' ' ASP 2.492 . . . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.95 -55.75 29.27 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.637 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -88.46 15.4 7.95 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.39 -102.58 0.27 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.52 -32.8 70.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.502 0.191 . . . . 0.0 111.16 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.13 63.43 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.512 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 35.2 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.374 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 14.9 Cg_exo -66.12 159.96 47.0 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.277 1.984 . . . . 0.0 112.109 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.96 119.89 7.03 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.844 2.363 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -44.37 135.18 4.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.406 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.448 . . . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.76 -56.42 22.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' HB12 ' A' ' 7' ' ' AIB . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.07 14.11 11.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.99 -109.85 2.5 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.77 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -64.65 -30.89 71.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 111.154 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.15 43.71 1.16 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.889 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.443 0.163 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -61.48 158.81 34.5 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.499 2.133 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo -45.65 116.76 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.955 2.436 . . . . 0.0 112.712 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 7' ' ' AIB . 66.0 t0 -40.42 136.44 1.28 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.408 ' N ' ' OD1' ' A' ' 6' ' ' ASP 2.468 . . . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.65 -55.58 33.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.12 1.46 47.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.36 -108.47 1.95 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 121.289 -0.481 . . . . 0.0 112.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -71.42 -31.7 67.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.43 0.157 . . . . 0.0 111.145 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.93 42.23 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.078 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.847 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.636 0.255 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.92 163.31 13.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.974 2.449 . . . . 0.0 112.808 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo -52.19 121.25 8.56 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.636 2.224 . . . . 0.0 112.195 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.442 ' O ' HB12 ' A' ' 7' ' ' AIB . 90.8 m-20 -47.78 149.57 1.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.442 HB12 ' O ' ' A' ' 6' ' ' ASP 2.46 . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.27 47.48 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.099 0.249 . . . . 0.0 111.486 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 9.38 19.19 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.21 -104.65 0.93 Allowed Glycine 0 C--N 1.339 0.726 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.563 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.94 -29.34 65.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.461 0.172 . . . . 0.0 111.064 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.75 42.5 1.1 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.987 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.2 ptm85 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.635 0.255 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.36 168.45 14.81 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.821 2.348 . . . . 0.0 112.59 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.622 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo -52.37 115.4 2.17 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.639 2.226 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.63 141.25 55.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.492 . . . . . . . 0 C--O 1.232 0.156 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.34 -56.17 24.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.622 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -83.2 -1.53 53.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.79 -101.43 0.41 Allowed Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.53 -0.367 . . . . 0.0 113.058 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -64.93 -30.75 71.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.505 0.193 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.56 35.05 1.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.855 0.359 . . . . 0.0 110.501 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.535 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 74.7 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.646 0.26 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.09 171.57 11.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.769 2.313 . . . . 0.0 112.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.44 112.46 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.821 2.347 . . . . 0.0 112.306 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -38.09 132.94 0.96 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.51 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.476 . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -53.76 53.43 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.052 0.22 . . . . 0.0 111.346 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -87.98 16.85 5.45 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.58 -102.29 0.31 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.777 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -68.97 -28.64 66.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.476 0.179 . . . . 0.0 111.443 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.84 41.87 1.08 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 30.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.33 163.93 19.08 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.517 2.144 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.3 120.33 8.15 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.803 2.335 . . . . 0.0 112.43 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.46 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -50.12 151.82 1.89 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.46 HB12 ' O ' ' A' ' 6' ' ' ASP 2.489 . . . . . . . 0 C--O 1.233 0.197 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -176.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.07 13.52 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.1 18.23 6.11 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.13 -104.68 0.56 Allowed Glycine 0 C--N 1.338 0.673 0 C-N-CA 121.361 -0.447 . . . . 0.0 113.02 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -63.91 -30.28 71.37 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.483 0.182 . . . . 0.0 111.453 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.27 41.97 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.996 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 31.0 t . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.463 0.173 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.16 157.34 40.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.628 2.219 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.6 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo -46.27 119.21 2.89 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.908 2.405 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -50.79 137.9 19.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.44 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.474 . . . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -178.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -55.16 37.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.44 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.6 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.34 18.7 5.81 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 60.04 -108.03 1.57 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.792 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -64.5 -30.29 71.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.43 0.157 . . . . 0.0 111.284 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 43.28 1.14 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 111.358 0.133 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.18 161.6 42.16 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.36 2.04 . . . . 0.0 112.086 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.85 114.0 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.877 2.384 . . . . 0.0 112.32 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.457 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -46.4 152.76 0.41 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.457 HB12 ' O ' ' A' ' 6' ' ' ASP 2.466 . . . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.19 -57.74 10.35 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.0 16.59 8.05 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.68 -104.39 0.49 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.987 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -65.01 -28.63 69.63 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.28 1.07 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.976 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.627 0.251 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.15 162.07 15.43 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.916 2.41 . . . . 0.0 112.596 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.61 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo -50.29 118.54 4.07 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.624 2.216 . . . . 0.0 112.251 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.5 141.9 23.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.434 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.415 . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -55.15 38.08 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.61 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.27 18.47 6.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 57.86 -106.18 0.74 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 121.319 -0.467 . . . . 0.0 113.038 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -64.99 -29.46 70.38 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.43 42.14 1.08 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.1 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.623 0.249 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.04 161.25 13.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.845 2.363 . . . . 0.0 112.735 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.626 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo -52.29 122.4 10.63 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.569 2.179 . . . . 0.0 112.221 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.44 139.53 37.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.426 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.472 . . . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.4 35.46 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 7.85 25.69 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 63.78 -108.83 2.41 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.617 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -70.14 -29.67 66.65 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.429 0.157 . . . . 0.0 111.108 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.08 41.65 1.08 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.78 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 85.2 Cg_endo -81.31 172.91 12.19 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 112.537 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 12.2 Cg_endo -57.73 114.59 2.02 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.941 2.427 . . . . 0.0 112.544 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -47.65 134.44 12.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.466 . . . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.7 18.7 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.449 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.94 2.42 34.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.86 -106.94 1.73 Allowed Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.453 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -71.59 -27.95 63.49 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.472 0.136 . . . . 0.0 111.126 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.46 41.02 1.1 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.983 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -62.56 165.42 15.67 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.427 2.085 . . . . 0.0 112.414 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.17 114.98 2.17 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.947 2.431 . . . . 0.0 112.507 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.1 m-20 -51.32 152.03 2.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.514 HB12 ' O ' ' A' ' 6' ' ' ASP 2.506 . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.438 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.11 8.57 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 18.29 6.32 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.72 -104.97 0.72 Allowed Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.879 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -65.64 -30.57 71.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.405 0.145 . . . . 0.0 111.362 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.45 43.48 1.14 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.914 179.998 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.496 0.189 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.466 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 71.6 Cg_endo -87.12 174.47 5.31 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.757 2.304 . . . . 0.0 112.191 179.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 10.8 Cg_endo -55.58 111.99 0.92 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.893 2.396 . . . . 0.0 112.519 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -55.35 134.2 50.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.456 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.49 . . . . . . . 0 C--O 1.233 0.205 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.27 23.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.447 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.81 -7.96 55.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.45 -111.42 4.16 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -72.57 -32.78 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.45 0.167 . . . . 0.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 41.44 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -65.82 164.58 26.42 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.367 2.044 . . . . 0.0 111.901 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo -53.69 112.64 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.891 2.394 . . . . 0.0 112.282 179.706 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.38 133.33 12.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.489 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.488 . . . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.63 12.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.412 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -88.6 16.81 6.08 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.71 -105.72 0.72 Allowed Glycine 0 C--N 1.338 0.693 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.783 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -65.89 -29.47 69.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.398 0.142 . . . . 0.0 111.279 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.1 42.28 1.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.997 179.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -62.62 163.75 20.41 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.458 2.105 . . . . 0.0 112.465 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo -56.98 120.87 9.08 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.063 2.509 . . . . 0.0 112.598 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -49.68 151.66 1.66 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.436 HB12 ' O ' ' A' ' 6' ' ' ASP 2.488 . . . . . . . 0 C--N 1.332 -0.181 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -58.88 6.59 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.439 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.31 14.3 13.14 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.51 -104.22 0.67 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.81 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -68.58 -29.94 68.59 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.452 0.168 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.83 43.47 1.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.931 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.0 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.03 163.09 15.62 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.839 2.359 . . . . 0.0 112.917 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo -53.84 121.88 10.37 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.635 2.224 . . . . 0.0 112.203 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -42.72 149.71 0.18 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.432 HB12 ' O ' ' A' ' 6' ' ' ASP 2.484 . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.049 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -54.17 49.25 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.12 0.262 . . . . 0.0 111.484 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -89.31 18.05 5.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.07 -105.52 0.63 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.879 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -65.54 -28.65 69.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 41.17 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 36.8 ptt85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 19.0 Cg_exo -63.79 165.4 18.65 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.528 2.152 . . . . 0.0 112.39 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.39 116.85 3.54 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.006 2.471 . . . . 0.0 112.565 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.464 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -48.9 150.89 1.36 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.464 HB12 ' O ' ' A' ' 6' ' ' ASP 2.456 . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.0 5.28 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HB3' HB12 ' A' ' 7' ' ' AIB . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.44 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.42 8.79 20.31 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.28 -105.44 1.21 Allowed Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.464 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -70.54 -29.37 65.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.461 0.172 . . . . 0.0 111.048 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.1 42.22 1.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.86 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.274 0.101 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 13.0 Cg_exo -67.39 161.33 43.71 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.341 2.027 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.2 115.8 2.7 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.982 2.455 . . . . 0.0 112.433 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.457 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -47.66 151.0 0.9 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.457 HB12 ' O ' ' A' ' 6' ' ' ASP 2.465 . . . . . . . 0 C--O 1.233 0.209 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -175.3 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.93 8.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -176.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HB12 ' A' ' 7' ' ' AIB . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.72 17.37 7.72 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.42 -103.88 0.54 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.83 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -68.16 -29.5 68.39 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.43 0.157 . . . . 0.0 111.13 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.82 43.88 1.15 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.8 179.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.896 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.09 164.49 29.93 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.408 2.072 . . . . 0.0 112.206 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.39 115.54 2.55 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.938 2.425 . . . . 0.0 112.434 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -50.53 151.77 2.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.452 . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.169 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -58.69 7.05 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' HB3' HB12 ' A' ' 7' ' ' AIB . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.409 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 19.76 4.75 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.47 -103.5 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.914 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -66.84 -26.41 66.9 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.89 41.42 1.07 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.011 179.323 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.959 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.56 162.56 30.61 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.359 2.039 . . . . 0.0 112.158 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo -53.53 115.97 2.67 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.905 2.403 . . . . 0.0 112.45 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -40.76 136.08 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.404 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.487 . . . . . . . 0 C--O 1.233 0.216 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.032 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -56.42 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 -178.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CB ' HB12 ' A' ' 7' ' ' AIB . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 17.91 6.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.41 -100.77 0.28 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.821 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.49 -29.76 69.28 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.424 0.154 . . . . 0.0 111.317 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.87 42.78 1.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.963 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.41 0.148 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.5 153.93 67.95 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.465 2.11 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -49.68 125.58 14.52 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.717 2.278 . . . . 0.0 112.413 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -44.05 138.36 2.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.457 . . . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.057 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -53.11 62.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -86.95 0.65 54.73 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.508 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 70.22 -96.89 0.56 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.984 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -66.32 -29.01 69.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.57 0.185 . . . . 0.0 110.953 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.76 33.14 2.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.567 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.446 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 68.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.04 -0.981 . . . . 0.0 111.119 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.729 0.3 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -82.91 157.28 15.58 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.847 2.365 . . . . 0.0 112.77 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.615 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo -49.7 121.33 7.1 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.625 2.217 . . . . 0.0 112.24 179.658 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -48.92 138.73 11.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.411 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.459 . . . . . . . 0 C--O 1.234 0.252 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.08 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -55.93 28.42 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 -179.479 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.615 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.18 18.1 7.35 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 58.29 -104.28 0.45 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.373 -0.442 . . . . 0.0 112.989 179.853 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -67.13 -29.92 69.78 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.447 0.165 . . . . 0.0 111.309 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.2 -17.14 64.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.567 179.239 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.883 179.793 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 13.0 ptt-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.486 0.184 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.4 Cg_exo -64.59 157.0 57.8 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.526 2.151 . . . . 0.0 112.579 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.619 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo -46.29 119.54 3.13 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.925 2.416 . . . . 0.0 112.411 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -47.8 149.25 1.33 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . 0.423 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.46 . . . . . . . 0 C--O 1.233 0.236 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -174.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -56.48 19.89 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.025 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.619 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 18.02 6.09 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.41 -104.49 0.55 Allowed Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.257 -0.497 . . . . 0.0 112.948 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -66.29 -29.28 69.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.371 0.129 . . . . 0.0 111.321 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.78 42.16 1.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.045 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo . . . . . 0 C--O 1.233 0.248 0 N-CA-C 112.617 0.199 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.564 0.178 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.609 0.17 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.636 0.255 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 CA--C 1.531 0.337 0 CA-C-O 120.425 0.094 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo . . . . . 0 CA--C 1.531 0.373 0 CA-C-O 120.47 0.112 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.416 0.09 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.59 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo . . . . . 0 CA--C 1.53 0.318 0 CA-C-O 120.416 0.09 . . . . 0.0 112.254 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 14.0 Cg_endo . . . . . 0 C--O 1.234 0.297 0 N-CA-C 112.578 0.184 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo . . . . . 0 CA--C 1.532 0.421 0 CA-C-O 120.526 0.136 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 C--O 1.233 0.254 0 N-CA-C 112.542 0.17 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo . . . . . 0 CA--C 1.53 0.321 0 N-CA-C 112.712 0.236 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo . . . . . 0 CA--C 1.53 0.308 0 CA-C-O 120.442 0.101 . . . . 0.0 112.195 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.557 0.218 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.468 0.112 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 CA--C 1.53 0.282 0 CA-C-O 120.59 0.163 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 120.558 0.218 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo . . . . . 0 CA--C 1.53 0.311 0 CA-C-O 120.561 0.15 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 112.488 0.149 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.264 0 CA-C-O 120.468 0.112 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo . . . . . 0 CA--C 1.531 0.328 0 CA-C-O 120.434 0.098 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.453 0.105 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.22 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo . . . . . 0 CA--C 1.529 0.238 0 N-CA-C 112.507 0.157 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 N-CA-C 112.519 0.161 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 120.546 0.144 . . . . 0.0 112.282 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 112.598 0.192 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.417 0.09 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.515 0.198 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo . . . . . 0 C--O 1.233 0.262 0 N-CA-C 112.565 0.179 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.247 0 CA-C-O 120.655 0.19 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.232 0.221 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 N-CA-C 112.45 0.135 . . . . 0.0 112.45 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 CA-C-O 120.523 0.135 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 120.378 0.074 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo . . . . . 0 CA--C 1.532 0.382 0 CA-C-O 120.496 0.123 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.311 0.115 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 23.3 Cg_exo -62.03 164.32 17.17 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.548 2.165 . . . . 0.0 112.507 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo -55.41 120.28 7.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.894 2.396 . . . . 0.0 112.617 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -46.95 136.91 7.89 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.462 . . . . . . . 0 C--O 1.233 0.225 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.36 23.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CB ' HB12 ' A' ' 7' ' ' AIB . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -89.73 18.18 5.82 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 -105.01 0.6 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.857 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.44 -31.05 70.09 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.509 0.195 . . . . 0.0 111.197 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.04 -16.43 64.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 34.9 t . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.485 0.183 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -87.88 171.12 5.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.821 2.347 . . . . 0.0 112.408 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.89 108.9 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.915 2.41 . . . . 0.0 112.564 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' O ' HB12 ' A' ' 7' ' ' AIB . 65.9 t0 -39.69 132.48 1.65 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.446 HB12 ' O ' ' A' ' 6' ' ' ASP 2.53 . . . . . . . 0 C--O 1.233 0.194 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -58.12 9.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' CB ' HB12 ' A' ' 7' ' ' AIB . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.66 11.53 14.94 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.44 -104.24 0.73 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.736 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -69.17 -29.75 67.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.498 0.189 . . . . 0.0 111.036 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.59 43.11 1.12 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.987 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.016 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.8 ptt85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.324 0.12 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 22.3 Cg_exo -62.54 167.32 11.7 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.425 2.083 . . . . 0.0 112.176 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo -54.45 113.4 1.34 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.862 2.374 . . . . 0.0 112.401 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.67 133.19 10.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.475 . . . . . . . 0 C--O 1.232 0.183 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.571 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.41 -56.37 22.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.388 0.675 . . . . 0.0 111.385 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' HB12 ' A' ' 7' ' ' AIB . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.477 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.65 -6.03 56.31 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.42 -112.78 5.17 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.69 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -71.37 -35.09 70.98 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.544 0.211 . . . . 0.0 110.907 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.81 42.77 1.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.945 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.955 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.605 0.24 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.74 163.33 12.21 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.835 2.356 . . . . 0.0 112.562 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -49.3 117.59 3.0 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.766 2.311 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -43.37 135.91 3.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.472 . . . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.33 36.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -88.98 18.18 5.1 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.45 -104.28 0.46 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.786 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -67.51 -26.73 66.48 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.04 41.4 1.07 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.713 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 19.6 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.98 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.627 0.251 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.47 164.82 16.53 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.813 2.342 . . . . 0.0 112.747 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo -51.24 118.83 4.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' HB12 ' A' ' 7' ' ' AIB . 4.1 t70 -45.59 141.46 2.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.418 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -56.12 25.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.44 3.17 37.38 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.27 -107.82 2.22 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.509 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -71.86 -31.17 66.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.458 0.171 . . . . 0.0 111.065 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.06 41.98 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.686 0.279 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.39 167.39 10.44 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.931 2.421 . . . . 0.0 112.592 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -51.6 117.15 3.22 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.702 2.268 . . . . 0.0 112.259 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -43.38 136.88 2.95 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.436 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.447 . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -56.28 23.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -2.51 55.49 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 64.94 -107.99 2.13 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.506 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -73.12 -32.25 64.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.476 0.179 . . . . 0.0 111.162 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.5 41.88 1.09 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.855 0.36 . . . . 0.0 111.057 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.838 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.589 0.233 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.5 165.06 18.6 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.785 2.324 . . . . 0.0 112.886 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.59 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo -54.39 119.06 5.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.481 ' O ' HB12 ' A' ' 7' ' ' AIB . 94.2 m-20 -51.47 150.37 3.69 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.481 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 C--O 1.233 0.204 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.98 26.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.121 0.263 . . . . 0.0 111.6 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -85.75 10.87 12.34 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.87 -105.39 0.59 Allowed Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.885 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -66.98 -26.93 67.05 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.95 40.13 1.01 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 33.1 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.01 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.673 0.273 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 84.7 Cg_endo -81.74 172.82 11.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.759 2.306 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 14.0 Cg_endo -58.56 112.62 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.874 2.383 . . . . 0.0 112.578 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -40.13 133.79 1.67 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.474 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.457 . . . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.62 11.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CB ' HB12 ' A' ' 7' ' ' AIB . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.451 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -3.31 53.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.84 -113.37 5.59 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.75 -31.46 68.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.499 0.19 . . . . 0.0 111.042 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.66 41.26 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.899 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.873 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.624 0.249 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.96 161.87 11.81 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 0.0 112.568 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo -48.66 117.34 2.62 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.661 2.24 . . . . 0.0 112.148 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.522 ' O ' HB12 ' A' ' 7' ' ' AIB . 95.8 m-20 -47.8 149.32 1.32 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.522 HB12 ' O ' ' A' ' 6' ' ' ASP 2.492 . . . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.95 -55.75 29.27 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -88.46 15.4 7.95 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.39 -102.58 0.27 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.52 -32.8 70.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.502 0.191 . . . . 0.0 111.16 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.13 63.43 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.512 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.515 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 35.2 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.374 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 14.9 Cg_exo -66.12 159.96 47.0 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.277 1.984 . . . . 0.0 112.109 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.96 119.89 7.03 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.844 2.363 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -44.37 135.18 4.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.406 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.448 . . . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.76 -56.42 22.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' HB12 ' A' ' 7' ' ' AIB . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.07 14.11 11.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.99 -109.85 2.5 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.77 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -64.65 -30.89 71.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 111.154 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.15 43.71 1.16 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.889 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.443 0.163 . . . . 0.0 111.387 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 24.0 Cg_exo -61.48 158.81 34.5 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.499 2.133 . . . . 0.0 112.348 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo -45.65 116.76 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.955 2.436 . . . . 0.0 112.712 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 7' ' ' AIB . 66.0 t0 -40.42 136.44 1.28 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.424 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.468 . . . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.65 -55.58 33.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.12 1.46 47.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.36 -108.47 1.95 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 121.289 -0.481 . . . . 0.0 112.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -71.42 -31.7 67.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.43 0.157 . . . . 0.0 111.145 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.93 42.23 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.078 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.847 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.636 0.255 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.92 163.31 13.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.974 2.449 . . . . 0.0 112.808 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo -52.19 121.25 8.56 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.636 2.224 . . . . 0.0 112.195 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' O ' HB12 ' A' ' 7' ' ' AIB . 90.8 m-20 -47.78 149.57 1.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.443 HB12 ' O ' ' A' ' 6' ' ' ASP 2.46 . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.27 47.48 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.099 0.249 . . . . 0.0 111.486 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 9.38 19.19 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.21 -104.65 0.93 Allowed Glycine 0 C--N 1.339 0.726 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.563 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.94 -29.34 65.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.461 0.172 . . . . 0.0 111.064 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.75 42.5 1.1 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.987 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.2 ptm85 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.635 0.255 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.36 168.45 14.81 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.821 2.348 . . . . 0.0 112.59 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo -52.37 115.4 2.17 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.639 2.226 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.63 141.25 55.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.492 . . . . . . . 0 C--O 1.232 0.156 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.34 -56.17 24.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.511 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -83.2 -1.53 53.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.79 -101.43 0.41 Allowed Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.53 -0.367 . . . . 0.0 113.058 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -64.93 -30.75 71.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.505 0.193 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.56 35.05 1.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.855 0.359 . . . . 0.0 110.501 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 74.7 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.646 0.26 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.09 171.57 11.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.769 2.313 . . . . 0.0 112.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.44 112.46 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.821 2.347 . . . . 0.0 112.306 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -38.09 132.94 0.96 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.529 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.476 . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -53.76 53.43 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.052 0.22 . . . . 0.0 111.346 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -87.98 16.85 5.45 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.58 -102.29 0.31 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.777 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -68.97 -28.64 66.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.476 0.179 . . . . 0.0 111.443 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.84 41.87 1.08 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 30.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.33 163.93 19.08 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.517 2.144 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.3 120.33 8.15 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.803 2.335 . . . . 0.0 112.43 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -50.12 151.82 1.89 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.461 HB12 ' O ' ' A' ' 6' ' ' ASP 2.489 . . . . . . . 0 C--O 1.233 0.197 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -176.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.07 13.52 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.452 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.1 18.23 6.11 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.13 -104.68 0.56 Allowed Glycine 0 C--N 1.338 0.673 0 C-N-CA 121.361 -0.447 . . . . 0.0 113.02 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -63.91 -30.28 71.37 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.483 0.182 . . . . 0.0 111.453 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.27 41.97 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.996 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 31.0 t . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.463 0.173 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.16 157.34 40.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.628 2.219 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo -46.27 119.21 2.89 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.908 2.405 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -50.79 137.9 19.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.462 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.474 . . . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -178.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -55.16 37.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.34 18.7 5.81 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 60.04 -108.03 1.57 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.792 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -64.5 -30.29 71.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.43 0.157 . . . . 0.0 111.284 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 43.28 1.14 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 111.358 0.133 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.18 161.6 42.16 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.36 2.04 . . . . 0.0 112.086 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.85 114.0 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.877 2.384 . . . . 0.0 112.32 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -46.4 152.76 0.41 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' O ' ' A' ' 6' ' ' ASP 2.466 . . . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.19 -57.74 10.35 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.0 16.59 8.05 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.68 -104.39 0.49 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.987 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -65.01 -28.63 69.63 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.28 1.07 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.976 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.627 0.251 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.15 162.07 15.43 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.916 2.41 . . . . 0.0 112.596 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo -50.29 118.54 4.07 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.624 2.216 . . . . 0.0 112.251 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.5 141.9 23.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.415 . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -55.15 38.08 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.27 18.47 6.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 57.86 -106.18 0.74 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 121.319 -0.467 . . . . 0.0 113.038 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -64.99 -29.46 70.38 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.43 42.14 1.08 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.1 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.623 0.249 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.04 161.25 13.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.845 2.363 . . . . 0.0 112.735 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo -52.29 122.4 10.63 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.569 2.179 . . . . 0.0 112.221 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.44 139.53 37.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.472 . . . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.4 35.46 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 7.85 25.69 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 63.78 -108.83 2.41 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.617 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -70.14 -29.67 66.65 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.429 0.157 . . . . 0.0 111.108 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.08 41.65 1.08 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.78 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 85.2 Cg_endo -81.31 172.91 12.19 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 112.537 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 12.2 Cg_endo -57.73 114.59 2.02 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.941 2.427 . . . . 0.0 112.544 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -47.65 134.44 12.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.466 . . . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.7 18.7 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.94 2.42 34.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.86 -106.94 1.73 Allowed Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.453 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -71.59 -27.95 63.49 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.472 0.136 . . . . 0.0 111.126 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.46 41.02 1.1 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.983 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -62.56 165.42 15.67 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.427 2.085 . . . . 0.0 112.414 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.17 114.98 2.17 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.947 2.431 . . . . 0.0 112.507 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.1 m-20 -51.32 152.03 2.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.515 HB12 ' O ' ' A' ' 6' ' ' ASP 2.506 . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.438 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.11 8.57 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 18.29 6.32 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 60.72 -104.97 0.72 Allowed Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.879 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -65.64 -30.57 71.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.405 0.145 . . . . 0.0 111.362 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.45 43.48 1.14 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.914 179.998 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.496 0.189 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 71.6 Cg_endo -87.12 174.47 5.31 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.757 2.304 . . . . 0.0 112.191 179.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 10.8 Cg_endo -55.58 111.99 0.92 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.893 2.396 . . . . 0.0 112.519 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -55.35 134.2 50.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.478 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.49 . . . . . . . 0 C--O 1.233 0.205 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.27 23.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.448 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.81 -7.96 55.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.45 -111.42 4.16 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -72.57 -32.78 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.45 0.167 . . . . 0.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 41.44 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -65.82 164.58 26.42 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.367 2.044 . . . . 0.0 111.901 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo -53.69 112.64 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.891 2.394 . . . . 0.0 112.282 179.706 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.38 133.33 12.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.511 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.488 . . . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.63 12.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.6 16.81 6.08 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.71 -105.72 0.72 Allowed Glycine 0 C--N 1.338 0.693 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.783 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -65.89 -29.47 69.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.398 0.142 . . . . 0.0 111.279 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.1 42.28 1.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.997 179.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.96 179.952 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 17.8 ptt-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 22.6 Cg_exo -62.62 163.75 20.41 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.458 2.105 . . . . 0.0 112.465 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo -56.98 120.87 9.08 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.063 2.509 . . . . 0.0 112.598 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -49.68 151.66 1.66 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.436 HB12 ' O ' ' A' ' 6' ' ' ASP 2.488 . . . . . . . 0 C--N 1.332 -0.181 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -58.88 6.59 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.31 14.3 13.14 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.51 -104.22 0.67 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.81 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -68.58 -29.94 68.59 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.452 0.168 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.83 43.47 1.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.931 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.0 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.03 163.09 15.62 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.839 2.359 . . . . 0.0 112.917 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo -53.84 121.88 10.37 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.635 2.224 . . . . 0.0 112.203 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -42.72 149.71 0.18 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.447 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.484 . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.049 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -54.17 49.25 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.12 0.262 . . . . 0.0 111.484 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -89.31 18.05 5.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.07 -105.52 0.63 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.879 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -65.54 -28.65 69.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 41.17 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 36.8 ptt85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 19.0 Cg_exo -63.79 165.4 18.65 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.528 2.152 . . . . 0.0 112.39 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.39 116.85 3.54 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.006 2.471 . . . . 0.0 112.565 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -48.9 150.89 1.36 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.465 HB12 ' O ' ' A' ' 6' ' ' ASP 2.456 . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.383 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.0 5.28 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' HB3' HB12 ' A' ' 7' ' ' AIB . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.42 8.79 20.31 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.28 -105.44 1.21 Allowed Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.464 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -70.54 -29.37 65.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.461 0.172 . . . . 0.0 111.048 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.1 42.22 1.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.86 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.274 0.101 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 13.0 Cg_exo -67.39 161.33 43.71 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.341 2.027 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.2 115.8 2.7 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.982 2.455 . . . . 0.0 112.433 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -47.66 151.0 0.9 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' O ' ' A' ' 6' ' ' ASP 2.465 . . . . . . . 0 C--O 1.233 0.209 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -175.3 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.93 8.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -176.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.72 17.37 7.72 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.42 -103.88 0.54 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.83 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -68.16 -29.5 68.39 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.43 0.157 . . . . 0.0 111.13 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.82 43.88 1.15 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.8 179.331 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.896 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 13.4 Cg_exo -67.09 164.49 29.93 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.408 2.072 . . . . 0.0 112.206 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.39 115.54 2.55 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.938 2.425 . . . . 0.0 112.434 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -50.53 151.77 2.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.427 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.452 . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.169 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -58.69 7.05 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HB12 ' A' ' 7' ' ' AIB . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 19.76 4.75 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.47 -103.5 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.914 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -66.84 -26.41 66.9 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.89 41.42 1.07 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.011 179.323 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.959 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.56 162.56 30.61 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.359 2.039 . . . . 0.0 112.158 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo -53.53 115.97 2.67 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.905 2.403 . . . . 0.0 112.45 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -40.76 136.08 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.487 . . . . . . . 0 C--O 1.233 0.216 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.032 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -56.42 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 -178.562 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CB ' HB12 ' A' ' 7' ' ' AIB . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 17.91 6.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.41 -100.77 0.28 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.821 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.49 -29.76 69.28 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.424 0.154 . . . . 0.0 111.317 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.87 42.78 1.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.963 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.41 0.148 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.5 153.93 67.95 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.465 2.11 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -49.68 125.58 14.52 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.717 2.278 . . . . 0.0 112.413 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -44.05 138.36 2.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.457 . . . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.057 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -53.11 62.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -86.95 0.65 54.73 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 70.22 -96.89 0.56 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.984 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -66.32 -29.01 69.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.57 0.185 . . . . 0.0 110.953 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.76 33.14 2.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.567 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 68.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.04 -0.981 . . . . 0.0 111.119 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.729 0.3 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -82.91 157.28 15.58 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.847 2.365 . . . . 0.0 112.77 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo -49.7 121.33 7.1 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.625 2.217 . . . . 0.0 112.24 179.658 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -48.92 138.73 11.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.433 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.459 . . . . . . . 0 C--O 1.234 0.252 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.08 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -55.93 28.42 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 -179.479 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -91.18 18.1 7.35 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 58.29 -104.28 0.45 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.373 -0.442 . . . . 0.0 112.989 179.853 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -67.13 -29.92 69.78 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.447 0.165 . . . . 0.0 111.309 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.2 -17.14 64.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.567 179.239 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.447 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . 11.6 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 13.0 ptt-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.486 0.184 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.4 Cg_exo -64.59 157.0 57.8 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.526 2.151 . . . . 0.0 112.579 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo -46.29 119.54 3.13 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.925 2.416 . . . . 0.0 112.411 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -47.8 149.25 1.33 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.46 . . . . . . . 0 C--O 1.233 0.236 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -174.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -56.48 19.89 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.025 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 18.02 6.09 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.41 -104.49 0.55 Allowed Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.257 -0.497 . . . . 0.0 112.948 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -66.29 -29.28 69.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.371 0.129 . . . . 0.0 111.321 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.78 42.16 1.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.045 -179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo . . . . . 0 C--O 1.233 0.248 0 N-CA-C 112.617 0.199 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 CA--C 1.53 0.295 0 N-CA-C 112.564 0.178 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.609 0.17 . . . . 0.0 112.401 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.636 0.255 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 CA--C 1.531 0.337 0 CA-C-O 120.425 0.094 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo . . . . . 0 CA--C 1.531 0.373 0 CA-C-O 120.47 0.112 . . . . 0.0 112.361 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.416 0.09 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.59 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo . . . . . 0 CA--C 1.53 0.318 0 CA-C-O 120.416 0.09 . . . . 0.0 112.254 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 14.0 Cg_endo . . . . . 0 C--O 1.234 0.297 0 N-CA-C 112.578 0.184 . . . . 0.0 112.578 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo . . . . . 0 CA--C 1.532 0.421 0 CA-C-O 120.526 0.136 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 C--O 1.233 0.254 0 N-CA-C 112.542 0.17 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo . . . . . 0 CA--C 1.53 0.321 0 N-CA-C 112.712 0.236 . . . . 0.0 112.712 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo . . . . . 0 CA--C 1.53 0.308 0 CA-C-O 120.442 0.101 . . . . 0.0 112.195 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.557 0.218 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.468 0.112 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo . . . . . 0 CA--C 1.53 0.282 0 CA-C-O 120.59 0.163 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 120.558 0.218 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo . . . . . 0 CA--C 1.53 0.311 0 CA-C-O 120.561 0.15 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 112.488 0.149 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.264 0 CA-C-O 120.468 0.112 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo . . . . . 0 CA--C 1.531 0.328 0 CA-C-O 120.434 0.098 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo . . . . . 0 CA--C 1.53 0.299 0 CA-C-O 120.453 0.105 . . . . 0.0 112.221 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.22 0 N-CA-C 112.544 0.171 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 . . . . . 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo . . . . . 0 CA--C 1.529 0.238 0 N-CA-C 112.507 0.157 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 CA--C 1.53 0.325 0 N-CA-C 112.519 0.161 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 120.546 0.144 . . . . 0.0 112.282 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo . . . . . 0 CA--C 1.528 0.224 0 N-CA-C 112.598 0.192 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.417 0.09 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 120.515 0.198 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo . . . . . 0 C--O 1.233 0.262 0 N-CA-C 112.565 0.179 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 CA--C 1.529 0.247 0 CA-C-O 120.655 0.19 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo . . . . . 0 C--O 1.232 0.221 0 N-CA-C 112.434 0.129 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo . . . . . 0 C--O 1.232 0.218 0 N-CA-C 112.45 0.135 . . . . 0.0 112.45 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 CA--C 1.532 0.388 0 CA-C-O 120.523 0.135 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 120.378 0.074 . . . . 0.0 112.24 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo . . . . . 0 CA--C 1.532 0.382 0 CA-C-O 120.496 0.123 . . . . 0.0 112.411 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 111.311 0.115 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 23.3 Cg_exo -62.03 164.32 17.17 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.548 2.165 . . . . 0.0 112.507 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 10.1 Cg_endo -55.41 120.28 7.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.894 2.396 . . . . 0.0 112.617 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.46 139.66 9.17 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.611 2.207 . . . . 0.0 112.462 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -55.45 -52.16 64.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.673 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -46.95 136.91 7.89 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.281 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.462 . . . . . . . 0 C--O 1.233 0.225 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.78 -56.36 23.19 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.643 0.258 . . . . 0.0 111.257 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.48 -29.67 69.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CB ' HB12 ' A' ' 7' ' ' AIB . 24.9 t80 -60.12 -33.06 71.62 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.971 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 -53.19 18.61 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.848 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -60.29 -34.61 74.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.304 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 73.8 t90 -57.17 -47.55 80.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.65 -41.43 97.52 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.5 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.53 -30.79 69.97 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.999 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.6 OUTLIER -89.73 18.18 5.82 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.01 -105.01 0.6 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 121.223 -0.513 . . . . 0.0 112.857 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.44 -31.05 70.09 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.509 0.195 . . . . 0.0 111.197 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.04 -16.43 64.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.56 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 34.9 t . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.485 0.183 . . . . 0.0 111.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -87.88 171.12 5.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.821 2.347 . . . . 0.0 112.408 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.89 108.9 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.915 2.41 . . . . 0.0 112.564 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.4 135.76 7.3 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.596 2.197 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -53.93 -57.44 10.96 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.877 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' O ' HB12 ' A' ' 7' ' ' AIB . 65.9 t0 -39.69 132.48 1.65 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.964 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.446 HB12 ' O ' ' A' ' 6' ' ' ASP 2.53 . . . . . . . 0 C--O 1.233 0.194 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -58.12 9.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.669 0.271 . . . . 0.0 111.17 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.33 -29.63 67.49 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.295 -174.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' CB ' HB12 ' A' ' 7' ' ' AIB . 29.9 t80 -61.23 -32.8 72.59 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.551 0.215 . . . . 0.0 110.914 -179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.49 -54.11 15.85 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.809 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -59.82 -35.45 74.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.547 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 80.2 t90 -57.89 -47.45 82.74 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.097 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.09 -39.72 93.42 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.67 70.25 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.951 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.66 11.53 14.94 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.44 -104.24 0.73 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.189 -0.529 . . . . 0.0 112.736 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -69.17 -29.75 67.83 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.498 0.189 . . . . 0.0 111.036 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.59 43.11 1.12 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.987 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.077 -0.963 . . . . 0.0 111.016 -179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.8 ptt85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.324 0.12 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 22.3 Cg_exo -62.54 167.32 11.7 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.425 2.083 . . . . 0.0 112.176 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.433 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.7 Cg_endo -54.45 113.4 1.34 Allowed 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.862 2.374 . . . . 0.0 112.401 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -82.59 137.53 9.1 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.745 2.297 . . . . 0.0 112.629 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -54.33 -53.21 56.87 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.638 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.67 133.19 10.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 122.146 0.974 . . . . 0.0 111.151 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.475 . . . . . . . 0 C--O 1.232 0.183 0 CA-C-N 114.522 -1.217 . . . . 0.0 113.571 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.41 -56.37 22.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.388 0.675 . . . . 0.0 111.385 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.2 64.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 118.648 -0.691 . . . . 0.0 111.307 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' CB ' HB12 ' A' ' 7' ' ' AIB . 31.1 t80 -64.45 -34.51 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.395 0.543 . . . . 0.0 110.986 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.9 -53.24 34.11 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.71 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -34.72 74.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.168 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.477 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 75.1 t90 -56.64 -47.99 78.51 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.992 178.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.0 -43.05 99.65 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -33.14 73.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.885 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.65 -6.03 56.31 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.42 -112.78 5.17 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.69 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -71.37 -35.09 70.98 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.544 0.211 . . . . 0.0 110.907 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.81 42.77 1.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.945 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.955 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.605 0.24 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.74 163.33 12.21 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.835 2.356 . . . . 0.0 112.562 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -49.3 117.59 3.0 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.766 2.311 . . . . 0.0 112.251 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.7 148.81 20.46 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.482 2.122 . . . . 0.0 112.643 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -62.5 -57.26 11.83 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.589 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -43.37 135.91 3.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.313 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.472 . . . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.92 -55.33 36.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.631 0.253 . . . . 0.0 111.211 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.94 -29.39 67.62 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.221 -173.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.68 -32.34 71.56 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.77 -52.52 17.23 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.853 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -61.34 -35.35 77.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.222 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.1 t90 -55.4 -45.16 76.66 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.947 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.74 -44.59 93.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.38 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -30.17 67.26 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.999 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -88.98 18.18 5.1 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.45 -104.28 0.46 Allowed Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.786 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -67.51 -26.73 66.48 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 111.369 0.137 . . . . 0.0 111.369 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.04 41.4 1.07 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.713 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 19.6 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.98 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 120.627 0.251 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.47 164.82 16.53 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.813 2.342 . . . . 0.0 112.747 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.62 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 39.1 Cg_exo -51.24 118.83 4.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.694 2.263 . . . . 0.0 112.361 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -81.39 151.0 17.44 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.438 2.092 . . . . 0.0 112.552 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -64.69 -57.62 8.51 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.798 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' HB12 ' A' ' 7' ' ' AIB . 4.1 t70 -45.59 141.46 2.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.728 0.299 . . . . 0.0 111.291 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.418 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -56.12 25.98 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.555 0.216 . . . . 0.0 111.208 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.9 -29.17 67.39 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.181 -173.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -61.01 -33.04 72.63 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.961 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.17 -52.77 17.27 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.833 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -61.2 -34.14 74.6 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.477 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.62 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -57.47 -45.04 85.25 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.037 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.88 -42.05 97.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.42 70.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.174 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.44 3.17 37.38 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.27 -107.82 2.22 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.509 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -71.86 -31.17 66.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.458 0.171 . . . . 0.0 111.065 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.06 41.98 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptt-85 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 120.686 0.279 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.39 167.39 10.44 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.931 2.421 . . . . 0.0 112.592 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.634 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.3 Cg_exo -51.6 117.15 3.22 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.702 2.268 . . . . 0.0 112.259 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -80.52 149.93 19.05 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.172 . . . . 0.0 112.471 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 m -64.63 -55.57 19.38 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.554 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -43.38 136.88 2.95 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.258 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.436 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.447 . . . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -56.28 23.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 111.158 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.24 -29.36 68.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.283 -172.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -60.36 -32.96 71.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.068 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.62 14.3 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.821 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -60.54 -34.36 74.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.338 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.634 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.5 t90 -57.17 -44.84 83.91 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.996 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.03 -42.4 97.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.75 70.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -2.51 55.49 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 64.94 -107.99 2.13 Favored Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.506 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -73.12 -32.25 64.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.476 0.179 . . . . 0.0 111.162 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.5 41.88 1.09 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.855 0.36 . . . . 0.0 111.057 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.838 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.589 0.233 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.5 165.06 18.6 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.785 2.324 . . . . 0.0 112.886 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.59 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 23.8 Cg_exo -54.39 119.06 5.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.603 2.202 . . . . 0.0 112.254 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.03 144.71 15.1 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.575 2.184 . . . . 0.0 112.621 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -58.41 -51.82 68.23 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.912 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.481 ' O ' HB12 ' A' ' 7' ' ' AIB . 94.2 m-20 -51.47 150.37 3.69 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.853 0.358 . . . . 0.0 111.457 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.481 HB12 ' O ' ' A' ' 6' ' ' ASP 2.471 . . . . . . . 0 C--O 1.233 0.204 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.68 -55.98 26.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.121 0.263 . . . . 0.0 111.6 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.95 -29.87 70.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.421 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -59.85 -32.88 71.1 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.515 0.197 . . . . 0.0 110.798 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -54.04 17.21 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.741 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -36.2 75.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.261 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.0 t90 -54.79 -46.04 74.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.09 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.06 -43.24 99.14 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.04 -30.29 70.23 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.87 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -85.75 10.87 12.34 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.87 -105.39 0.59 Allowed Glycine 0 C--N 1.338 0.645 0 C-N-CA 121.251 -0.5 . . . . 0.0 112.885 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -66.98 -26.93 67.05 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.95 40.13 1.01 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.766 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 33.1 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.01 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.673 0.273 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 84.7 Cg_endo -81.74 172.82 11.86 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.759 2.306 . . . . 0.0 112.461 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 14.0 Cg_endo -58.56 112.62 1.24 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.874 2.383 . . . . 0.0 112.578 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -82.94 136.98 8.4 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.639 2.226 . . . . 0.0 112.482 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -53.44 -57.61 10.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.732 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -40.13 133.79 1.67 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.192 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.474 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.457 . . . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.62 11.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.691 0.281 . . . . 0.0 111.36 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.9 -29.27 68.32 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.143 -174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CB ' HB12 ' A' ' 7' ' ' AIB . 26.1 t80 -60.87 -33.22 72.76 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.754 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.96 -52.74 25.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.755 -179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.37 -37.61 81.29 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.209 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.451 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.1 t90 -55.2 -46.97 75.9 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.179 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.82 -43.11 99.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.501 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.22 71.73 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.907 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -3.31 53.23 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 66.84 -113.37 5.59 Favored Glycine 0 C--N 1.338 0.679 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -70.75 -31.46 68.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.499 0.19 . . . . 0.0 111.042 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.66 41.26 1.09 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.899 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.873 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.624 0.249 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.96 161.87 11.81 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 0.0 112.568 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.625 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 33.7 Cg_exo -48.66 117.34 2.62 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.661 2.24 . . . . 0.0 112.148 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -80.9 147.61 16.96 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.542 2.162 . . . . 0.0 112.753 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -60.01 -52.65 64.47 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.636 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.522 ' O ' HB12 ' A' ' 7' ' ' AIB . 95.8 m-20 -47.8 149.32 1.32 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.486 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.522 HB12 ' O ' ' A' ' 6' ' ' ASP 2.492 . . . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.95 -55.75 29.27 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.29 70.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.701 -174.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -60.21 -34.95 74.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.88 -53.26 18.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -59.82 -35.36 74.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.292 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 88.2 t90 -55.85 -44.44 78.04 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.015 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.443 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.77 66.5 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.152 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -88.46 15.4 7.95 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.39 -102.58 0.27 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 121.328 -0.463 . . . . 0.0 112.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.52 -32.8 70.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.502 0.191 . . . . 0.0 111.16 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.13 63.43 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.512 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.515 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 35.2 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.451 -0.785 . . . . 0.0 111.374 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 111.335 0.124 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 14.9 Cg_exo -66.12 159.96 47.0 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.277 1.984 . . . . 0.0 112.109 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.96 119.89 7.03 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.844 2.363 . . . . 0.0 112.542 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -83.64 139.64 8.95 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.605 2.204 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -56.57 -52.69 63.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.706 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -44.37 135.18 4.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.406 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.448 . . . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.76 -56.42 22.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.642 0.258 . . . . 0.0 111.264 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.82 -30.56 70.0 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.259 -173.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CB ' HB12 ' A' ' 7' ' ' AIB . 28.9 t80 -60.35 -32.83 71.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.033 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.87 -53.28 18.74 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.846 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.3 -34.86 74.38 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.395 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -57.7 -47.85 81.22 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.053 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.3 -42.41 98.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 -31.31 69.9 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.078 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.07 14.11 11.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.99 -109.85 2.5 Favored Glycine 0 C--N 1.338 0.674 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.77 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -64.65 -30.89 71.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 111.154 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.15 43.71 1.16 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.889 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.443 0.163 . . . . 0.0 111.387 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 24.0 Cg_exo -61.48 158.81 34.5 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.499 2.133 . . . . 0.0 112.348 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 50.3 Cg_exo -45.65 116.76 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.955 2.436 . . . . 0.0 112.712 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -80.31 147.77 18.39 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.664 2.243 . . . . 0.0 112.651 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -61.67 -59.28 5.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.666 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 7' ' ' AIB . 66.0 t0 -40.42 136.44 1.28 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.358 178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.424 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.468 . . . . . . . 0 CA--C 1.521 -0.161 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.65 -55.58 33.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.686 0.279 . . . . 0.0 111.267 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.08 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.387 -173.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.8 t80 -61.64 -32.65 72.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.963 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -51.95 21.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.782 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -61.03 -34.5 74.95 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.383 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.7 t90 -57.13 -44.31 83.23 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.959 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.84 -42.85 94.59 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.01 69.24 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.247 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.12 1.46 47.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.36 -108.47 1.95 Allowed Glycine 0 C--N 1.339 0.724 0 C-N-CA 121.289 -0.481 . . . . 0.0 112.681 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -71.42 -31.7 67.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.43 0.157 . . . . 0.0 111.145 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.93 42.23 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.798 0.332 . . . . 0.0 111.078 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.39 -0.814 . . . . 0.0 110.847 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.636 0.255 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -83.92 163.31 13.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.974 2.449 . . . . 0.0 112.808 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.605 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 30.9 Cg_exo -52.19 121.25 8.56 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.636 2.224 . . . . 0.0 112.195 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.72 149.47 16.23 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.566 2.177 . . . . 0.0 112.622 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -61.94 -54.85 36.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.689 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' O ' HB12 ' A' ' 7' ' ' AIB . 90.8 m-20 -47.78 149.57 1.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.502 -176.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.443 HB12 ' O ' ' A' ' 6' ' ' ASP 2.46 . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.27 47.48 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.099 0.249 . . . . 0.0 111.486 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.67 69.84 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.428 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.4 t80 -60.28 -32.41 71.16 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.972 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.27 -52.66 21.25 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.865 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -60.46 -36.52 78.44 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.226 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 85.7 t90 -54.48 -45.65 73.23 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.903 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.49 -44.16 95.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.66 69.48 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.027 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 9.38 19.19 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.21 -104.65 0.93 Allowed Glycine 0 C--N 1.339 0.726 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.563 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.94 -29.34 65.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.461 0.172 . . . . 0.0 111.064 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.75 42.5 1.1 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.867 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.104 -0.95 . . . . 0.0 110.987 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.2 ptm85 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.635 0.255 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -82.36 168.45 14.81 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.821 2.348 . . . . 0.0 112.59 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.0 Cg_exo -52.37 115.4 2.17 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.639 2.226 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.44 150.13 19.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.538 2.158 . . . . 0.0 112.616 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.9 -42.82 89.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.617 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.63 141.25 55.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.208 -174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.492 . . . . . . . 0 C--O 1.232 0.156 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.34 -56.17 24.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.601 0.239 . . . . 0.0 111.194 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.45 69.67 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.342 -171.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -60.48 -33.79 73.11 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.094 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.43 11.51 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.8 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.56 -34.49 72.76 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.356 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 76.3 t90 -57.22 -48.25 79.28 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.064 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.8 mt -61.51 -43.6 98.57 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.605 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.65 72.52 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.214 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.511 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -83.2 -1.53 53.27 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.562 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 62.79 -101.43 0.41 Allowed Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.53 -0.367 . . . . 0.0 113.058 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 63.5 m95 -64.93 -30.75 71.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.505 0.193 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.56 35.05 1.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.855 0.359 . . . . 0.0 110.501 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.511 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 74.7 m . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.646 0.26 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -83.09 171.57 11.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.769 2.313 . . . . 0.0 112.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.44 112.46 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.821 2.347 . . . . 0.0 112.306 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -83.75 136.49 7.27 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.56 2.174 . . . . 0.0 112.717 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -54.64 -56.05 23.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.569 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -38.09 132.94 0.96 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.805 178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.529 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.476 . . . . . . . 0 CA--C 1.52 -0.176 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -53.76 53.43 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.052 0.22 . . . . 0.0 111.346 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.04 -30.69 68.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.214 -173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.4 t80 -60.94 -33.01 72.5 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 110.86 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 -53.34 18.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.762 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -59.72 -37.41 78.82 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.228 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -55.42 -47.65 75.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.164 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.28 -44.62 96.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.506 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.88 68.56 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.993 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.5 OUTLIER -87.98 16.85 5.45 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.58 -102.29 0.31 Allowed Glycine 0 C--N 1.34 0.779 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.777 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -68.97 -28.64 66.8 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.476 0.179 . . . . 0.0 111.443 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.84 41.87 1.08 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 30.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.33 163.93 19.08 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.517 2.144 . . . . 0.0 112.404 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.3 120.33 8.15 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.803 2.335 . . . . 0.0 112.43 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -81.32 136.36 9.97 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.66 2.24 . . . . 0.0 112.425 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -52.41 -50.6 62.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.096 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -50.12 151.82 1.89 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.719 0.295 . . . . 0.0 111.411 -175.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.461 HB12 ' O ' ' A' ' 6' ' ' ASP 2.489 . . . . . . . 0 C--O 1.233 0.197 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -176.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -57.07 13.52 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.03 -30.19 71.15 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.416 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -60.4 -33.53 72.61 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 110.61 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.43 44.74 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -36.99 78.23 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.137 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.452 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 78.4 t90 -55.1 -48.15 73.97 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.052 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.2 -42.42 98.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.553 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.47 69.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.991 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.1 18.23 6.11 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.13 -104.68 0.56 Allowed Glycine 0 C--N 1.338 0.673 0 C-N-CA 121.361 -0.447 . . . . 0.0 113.02 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -63.91 -30.28 71.37 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.483 0.182 . . . . 0.0 111.453 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.27 41.97 1.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.996 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 31.0 t . . . . . 0 C--O 1.252 1.185 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 120.463 0.173 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.16 157.34 40.18 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.628 2.219 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 44.3 Cg_exo -46.27 119.21 2.89 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.908 2.405 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.23 148.91 16.95 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.542 2.161 . . . . 0.0 112.579 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.9 m -64.77 -47.69 77.22 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.669 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -50.79 137.9 19.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.205 -177.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.462 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.474 . . . . . . . 0 CA--C 1.521 -0.164 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -178.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -55.16 37.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.631 0.253 . . . . 0.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.59 -30.05 68.72 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.233 -171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.3 t80 -60.18 -33.51 72.32 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.058 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.65 -53.41 15.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.775 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -60.31 -34.87 74.4 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.592 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.6 t90 -56.8 -46.21 81.74 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.968 178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -42.39 99.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.4 -31.93 68.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.239 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.34 18.7 5.81 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 60.04 -108.03 1.57 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.792 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -64.5 -30.29 71.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.43 0.157 . . . . 0.0 111.284 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.82 43.28 1.14 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.806 0.336 . . . . 0.0 110.955 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.007 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 111.358 0.133 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.18 161.6 42.16 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.36 2.04 . . . . 0.0 112.086 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.85 114.0 1.65 Allowed 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.877 2.384 . . . . 0.0 112.32 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.19 137.39 10.67 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.456 2.104 . . . . 0.0 112.5 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 m -54.79 -54.85 36.82 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.848 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -46.4 152.76 0.41 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.335 -175.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' O ' ' A' ' 6' ' ' ASP 2.466 . . . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -175.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.19 -57.74 10.35 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.35 -30.01 69.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -175.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -60.18 -33.17 71.84 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.851 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.08 -54.5 17.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -58.94 -34.89 72.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.291 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -56.89 -48.96 76.97 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.108 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.69 -43.46 97.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.411 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.27 -29.12 70.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.975 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.0 16.59 8.05 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.68 -104.39 0.49 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.987 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -65.01 -28.63 69.63 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.28 1.07 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.774 0.321 . . . . 0.0 110.976 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.025 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.627 0.251 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.15 162.07 15.43 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.916 2.41 . . . . 0.0 112.596 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.602 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 36.4 Cg_exo -50.29 118.54 4.07 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.624 2.216 . . . . 0.0 112.251 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.14 150.47 20.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.419 2.079 . . . . 0.0 112.691 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -65.4 -48.42 72.91 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.618 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -53.5 141.9 23.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.656 0.265 . . . . 0.0 111.335 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.415 . . . . . . . 0 C--O 1.232 0.171 0 N-CA-C 113.445 0.905 . . . . 0.0 113.445 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -55.15 38.08 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.562 0.22 . . . . 0.0 111.192 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.84 -29.53 67.87 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 -172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.9 t80 -60.48 -32.94 71.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.41 -53.21 14.82 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.825 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -60.65 -35.24 75.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.238 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.602 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.4 t90 -55.93 -46.48 78.47 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.008 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.08 -44.12 96.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.497 178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -31.76 66.15 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -90.27 18.47 6.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 57.86 -106.18 0.74 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 121.319 -0.467 . . . . 0.0 113.038 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -64.99 -29.46 70.38 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.43 42.14 1.08 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.962 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.1 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.623 0.249 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.04 161.25 13.67 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.845 2.363 . . . . 0.0 112.735 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.617 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 25.4 Cg_exo -52.29 122.4 10.63 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.569 2.179 . . . . 0.0 112.221 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.21 151.53 18.01 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.543 2.162 . . . . 0.0 112.57 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -65.78 -46.62 78.06 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.622 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.44 139.53 37.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.405 -175.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.472 . . . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.4 35.46 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.638 0.256 . . . . 0.0 111.176 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.29 69.89 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.222 -172.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.1 t80 -59.73 -33.08 71.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -52.98 15.4 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.863 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -61.0 -34.4 74.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.281 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.617 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.1 t90 -56.89 -45.8 82.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.863 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.34 -43.95 96.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.92 69.19 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.081 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 7.85 25.69 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 63.78 -108.83 2.41 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.617 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -70.14 -29.67 66.65 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.429 0.157 . . . . 0.0 111.108 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.08 41.65 1.08 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.78 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.918 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 120.654 0.264 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 85.2 Cg_endo -81.31 172.91 12.19 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 112.537 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 12.2 Cg_endo -57.73 114.59 2.02 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.941 2.427 . . . . 0.0 112.544 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -82.33 138.11 9.72 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.566 2.177 . . . . 0.0 112.495 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -54.73 -49.77 69.98 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.693 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -47.65 134.44 12.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.101 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.466 . . . . . . . 0 C--O 1.233 0.227 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.7 18.7 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.626 0.25 . . . . 0.0 111.296 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.06 -29.19 68.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.26 -172.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -60.69 -33.31 72.67 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.01 20.24 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.77 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.72 -34.61 74.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.408 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.452 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 77.2 t90 -57.62 -47.04 83.31 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.07 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.37 -41.2 98.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.28 -34.5 73.83 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.822 -0.627 . . . . 0.0 112.044 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.94 2.42 34.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.86 -106.94 1.73 Allowed Glycine 0 C--N 1.339 0.719 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.453 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -71.59 -27.95 63.49 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.472 0.136 . . . . 0.0 111.126 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.46 41.02 1.1 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.819 0.343 . . . . 0.0 110.983 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.146 -0.93 . . . . 0.0 110.898 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -62.56 165.42 15.67 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.427 2.085 . . . . 0.0 112.414 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.17 114.98 2.17 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.947 2.431 . . . . 0.0 112.507 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.59 137.06 10.02 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.577 2.184 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 m -53.54 -49.3 67.92 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.044 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.1 m-20 -51.32 152.03 2.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.706 0.288 . . . . 0.0 111.519 -174.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.515 HB12 ' O ' ' A' ' 6' ' ' ASP 2.506 . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.438 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.82 -58.11 8.57 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -178.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.18 -30.96 71.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.699 -175.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -60.17 -33.97 72.94 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.422 0.153 . . . . 0.0 110.87 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.33 -52.71 36.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.723 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -59.8 -35.46 74.72 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.33 178.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.402 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 77.2 t90 -56.68 -47.92 78.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.002 178.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.17 -42.12 98.01 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.603 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.54 69.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.127 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 18.29 6.32 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 60.72 -104.97 0.72 Allowed Glycine 0 C--N 1.338 0.664 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.879 179.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -65.64 -30.57 71.3 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.405 0.145 . . . . 0.0 111.362 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.45 43.48 1.14 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.914 179.998 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.496 0.189 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HB2' ' HD2' ' A' ' 3' ' ' PRO . 71.6 Cg_endo -87.12 174.47 5.31 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.757 2.304 . . . . 0.0 112.191 179.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 2' ' ' PRO . 10.8 Cg_endo -55.58 111.99 0.92 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.893 2.396 . . . . 0.0 112.519 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.78 138.22 9.25 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.707 2.271 . . . . 0.0 112.569 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -54.19 -44.38 71.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.732 177.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -55.35 134.2 50.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.064 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.478 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.49 . . . . . . . 0 C--O 1.233 0.205 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -56.27 23.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.69 0.281 . . . . 0.0 111.237 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.47 70.11 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.439 -171.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -61.07 -32.96 72.59 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.91 -52.78 18.0 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.582 0.229 . . . . 0.0 110.799 -178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -60.71 -36.79 79.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.495 179.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.448 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 79.7 t90 -56.5 -45.82 80.82 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.21 178.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.08 -46.72 86.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.896 0.379 . . . . 0.0 110.217 178.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.44 72.79 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.553 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.81 -7.96 55.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.064 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.45 -111.42 4.16 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.487 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -72.57 -32.78 66.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.45 0.167 . . . . 0.0 111.174 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 41.44 1.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.732 0.301 . . . . 0.0 111.062 179.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 ptm85 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -65.82 164.58 26.42 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.367 2.044 . . . . 0.0 111.901 179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.5 Cg_endo -53.69 112.64 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.891 2.394 . . . . 0.0 112.282 179.706 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.93 137.65 8.77 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.71 2.273 . . . . 0.0 112.673 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -55.62 -48.32 75.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.56 177.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -47.38 133.33 12.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.179 -177.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.511 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.488 . . . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.45 -57.63 12.16 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.672 0.273 . . . . 0.0 111.259 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.64 70.59 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -172.065 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -60.81 -33.18 72.61 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.931 -179.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -53.54 17.9 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.765 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.68 -37.12 77.92 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.189 179.054 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 76.3 t90 -55.56 -47.56 76.18 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.16 178.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.81 -42.58 99.2 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 178.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.36 69.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.912 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.6 16.81 6.08 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.71 -105.72 0.72 Allowed Glycine 0 C--N 1.338 0.693 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.783 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -65.89 -29.47 69.91 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.398 0.142 . . . . 0.0 111.279 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.1 42.28 1.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.997 179.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.96 179.952 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 17.8 ptt-85 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.449 0.166 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 22.6 Cg_exo -62.62 163.75 20.41 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.458 2.105 . . . . 0.0 112.465 179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 12.2 Cg_endo -56.98 120.87 9.08 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.063 2.509 . . . . 0.0 112.598 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.78 137.09 8.65 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.749 2.299 . . . . 0.0 112.77 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -51.71 -54.75 24.9 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.056 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' O ' HB12 ' A' ' 7' ' ' AIB . 93.6 m-20 -49.68 151.66 1.66 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.872 0.368 . . . . 0.0 111.544 -174.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.436 HB12 ' O ' ' A' ' 6' ' ' ASP 2.488 . . . . . . . 0 C--N 1.332 -0.181 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.43 -58.88 6.59 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -177.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.53 70.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.851 -175.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.41 -33.03 71.91 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.497 0.189 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.22 -50.61 52.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.828 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.26 -35.7 79.78 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.254 178.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 76.1 t90 -55.86 -47.12 77.89 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.868 178.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -42.03 98.46 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.37 178.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -28.29 69.93 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.002 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.31 14.3 13.14 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.51 -104.22 0.67 Allowed Glycine 0 C--N 1.339 0.727 0 C-N-CA 121.336 -0.459 . . . . 0.0 112.81 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -68.58 -29.94 68.59 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.452 0.168 . . . . 0.0 111.143 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.83 43.47 1.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.931 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.251 1.142 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.0 -179.948 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.03 163.09 15.62 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.839 2.359 . . . . 0.0 112.917 -179.685 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 24.6 Cg_exo -53.84 121.88 10.37 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.635 2.224 . . . . 0.0 112.203 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.88 150.66 16.3 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.574 2.183 . . . . 0.0 112.643 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -63.43 -58.69 6.23 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.694 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -42.72 149.71 0.18 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.581 -177.716 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.447 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.484 . . . . . . . 0 C--O 1.233 0.199 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -177.049 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -54.17 49.25 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.12 0.262 . . . . 0.0 111.484 -178.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.2 -29.56 69.85 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.335 -174.274 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.8 t80 -59.83 -32.91 71.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.94 -179.072 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -53.55 17.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.726 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.27 -34.41 73.69 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.338 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 84.2 t90 -56.89 -46.26 82.03 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.899 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.48 -43.44 98.81 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.34 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.31 -29.57 68.94 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.963 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 21' ' ' SER . 0.4 OUTLIER -89.31 18.05 5.54 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.07 -105.52 0.63 Allowed Glycine 0 C--N 1.338 0.654 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.879 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -65.54 -28.65 69.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 41.17 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 29.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.125 -0.94 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 36.8 ptt85 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.35 0.13 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 19.0 Cg_exo -63.79 165.4 18.65 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.528 2.152 . . . . 0.0 112.39 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -58.39 116.85 3.54 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.006 2.471 . . . . 0.0 112.565 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -81.56 135.95 9.48 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.655 2.237 . . . . 0.0 112.393 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -53.13 -50.27 64.86 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.051 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.8 m-20 -48.9 150.89 1.36 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.748 0.308 . . . . 0.0 111.418 -176.491 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.465 HB12 ' O ' ' A' ' 6' ' ' ASP 2.456 . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -175.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.0 5.28 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -176.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.89 71.82 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -175.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' HB3' HB12 ' A' ' 7' ' ' AIB . 63.3 t80 -60.05 -32.91 71.36 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.489 0.185 . . . . 0.0 110.731 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.05 -52.43 49.05 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.669 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -59.91 -36.01 76.1 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.297 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.444 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 78.6 t90 -56.0 -47.76 77.17 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.068 178.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.526 178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -32.53 71.42 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.939 -179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.42 8.79 20.31 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 65.28 -105.44 1.21 Allowed Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.464 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -70.54 -29.37 65.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.461 0.172 . . . . 0.0 111.048 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.1 42.22 1.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 111.073 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.86 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.274 0.101 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 13.0 Cg_exo -67.39 161.33 43.71 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.341 2.027 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.2 115.8 2.7 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.982 2.455 . . . . 0.0 112.433 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -81.73 136.82 9.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.683 2.256 . . . . 0.0 112.582 -179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.7 m -54.84 -50.17 69.28 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.941 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.458 ' O ' HB12 ' A' ' 7' ' ' AIB . 92.6 m-20 -47.66 151.0 0.9 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.769 0.319 . . . . 0.0 111.502 -177.046 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.458 HB12 ' O ' ' A' ' 6' ' ' ASP 2.465 . . . . . . . 0 C--O 1.233 0.209 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -175.3 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.93 8.61 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -176.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.0 71.35 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 57.4 t80 -59.47 -32.51 70.32 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 121.194 -0.203 . . . . 0.0 110.85 -179.695 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -52.88 34.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.767 179.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.58 -35.62 76.54 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 179.132 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -56.1 -47.21 78.48 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.802 178.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.99 -43.12 99.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.503 178.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -30.4 68.75 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.983 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.72 17.37 7.72 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.42 -103.88 0.54 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.83 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -68.16 -29.5 68.39 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.43 0.157 . . . . 0.0 111.13 179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.82 43.88 1.15 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.8 179.331 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.896 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 111.278 0.103 . . . . 0.0 111.278 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 13.4 Cg_exo -67.09 164.49 29.93 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.408 2.072 . . . . 0.0 112.206 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.39 115.54 2.55 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.938 2.425 . . . . 0.0 112.434 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.29 137.28 10.48 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.476 2.117 . . . . 0.0 112.399 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -54.32 -52.7 60.69 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.028 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -50.53 151.77 2.16 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.75 0.309 . . . . 0.0 111.547 -175.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.427 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.452 . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -174.169 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -58.69 7.05 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.4 69.16 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -175.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HB12 ' A' ' 7' ' ' AIB . 55.2 t80 -59.75 -31.51 69.71 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.775 -179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -53.31 27.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.837 178.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.01 -36.56 77.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.303 179.087 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CD2' ' HA2' ' A' ' 18' ' ' GLY . 75.8 t90 -55.15 -47.92 74.43 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.065 178.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.01 -41.33 96.33 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.476 178.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -32.55 70.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.958 -179.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.08 19.76 4.75 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.47 -103.5 0.42 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.914 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -66.84 -26.41 66.9 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.89 41.42 1.07 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 111.011 179.323 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.417 -0.801 . . . . 0.0 110.959 -179.93 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 111.364 0.135 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.56 162.56 30.61 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.359 2.039 . . . . 0.0 112.158 179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' CZ2' ' A' ' 13' ' ' TRP . 9.3 Cg_endo -53.53 115.97 2.67 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.905 2.403 . . . . 0.0 112.45 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.14 138.63 9.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.633 2.222 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -56.63 -56.1 25.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.712 178.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -40.76 136.08 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.715 0.293 . . . . 0.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.403 HB12 ' CB ' ' A' ' 10' ' ' TYR 2.487 . . . . . . . 0 C--O 1.233 0.216 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.032 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.22 -56.42 22.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.683 0.278 . . . . 0.0 111.366 -178.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.89 -28.96 66.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.349 -172.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.403 ' CB ' HB12 ' A' ' 7' ' ' AIB . 43.1 t80 -61.6 -32.23 72.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.803 -0.18 . . . . 0.0 110.904 -179.146 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 -53.88 16.78 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.791 -179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -59.84 -35.01 73.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.374 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CZ2' ' HD3' ' A' ' 3' ' ' PRO . 75.8 t90 -57.47 -48.34 79.45 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.048 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.95 -42.57 98.52 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.1 -32.33 70.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.161 -179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 17.91 6.86 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 61.41 -100.77 0.28 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 121.293 -0.479 . . . . 0.0 112.821 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.49 -29.76 69.28 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 120.424 0.154 . . . . 0.0 111.317 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.87 42.78 1.11 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.061 179.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.405 -0.807 . . . . 0.0 111.013 179.963 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.41 0.148 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.5 153.93 67.95 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.465 2.11 . . . . 0.0 112.35 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -49.68 125.58 14.52 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.717 2.278 . . . . 0.0 112.413 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.69 158.66 21.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.621 2.214 . . . . 0.0 112.77 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -76.04 -55.66 5.39 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.474 -178.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -44.05 138.36 2.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.818 0.342 . . . . 0.0 111.465 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . 2.457 . . . . . . . 0 CA--C 1.52 -0.192 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -178.057 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -53.11 62.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.709 0.29 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.19 73.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -172.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -60.71 -31.34 70.62 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.51 -53.81 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -59.99 -34.74 73.73 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.115 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CE2' ' HA2' ' A' ' 18' ' ' GLY . 70.8 t90 -56.9 -48.06 79.09 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.111 178.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.19 -41.57 98.47 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 178.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.47 72.54 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.527 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB3' ' OG ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -86.95 0.65 54.73 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.444 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA2' ' CE2' ' A' ' 13' ' ' TRP . . . 70.22 -96.89 0.56 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.984 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -66.32 -29.01 69.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.57 0.185 . . . . 0.0 110.953 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.76 33.14 2.14 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.567 178.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' OG ' ' HB3' ' A' ' 16' ' ' ASP . 68.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.04 -0.981 . . . . 0.0 111.119 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.729 0.3 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -82.91 157.28 15.58 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.847 2.365 . . . . 0.0 112.77 -179.802 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.607 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 35.9 Cg_exo -49.7 121.33 7.1 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.625 2.217 . . . . 0.0 112.24 179.658 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -80.45 150.91 19.72 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.397 2.065 . . . . 0.0 112.702 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -65.6 -51.54 58.85 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.528 178.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -48.92 138.73 11.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.308 -177.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.433 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.459 . . . . . . . 0 C--O 1.234 0.252 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.08 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -55.93 28.42 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.662 0.268 . . . . 0.0 111.148 -179.479 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.68 70.93 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.218 -172.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HB3' HB12 ' A' ' 7' ' ' AIB . 88.3 t80 -59.57 -31.87 69.84 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.062 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.11 -53.49 14.39 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.767 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -60.44 -35.03 74.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.332 179.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 86.0 t90 -56.68 -46.46 81.15 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.96 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.2 -45.43 93.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 178.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.95 67.68 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.725 179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 21' ' ' SER . 0.9 OUTLIER -91.18 18.1 7.35 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 58.29 -104.28 0.45 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 121.373 -0.442 . . . . 0.0 112.989 179.853 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -67.13 -29.92 69.78 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 120.447 0.165 . . . . 0.0 111.309 179.861 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.2 -17.14 64.55 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.567 179.239 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.447 ' CB ' ' HB3' ' A' ' 16' ' ' ASP . 11.6 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 13.0 ptt-85 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.486 0.184 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.4 Cg_exo -64.59 157.0 57.8 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.526 2.151 . . . . 0.0 112.579 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.606 ' HG3' ' CH2' ' A' ' 13' ' ' TRP . 37.4 Cg_exo -46.29 119.54 3.13 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.925 2.416 . . . . 0.0 112.411 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.39 141.45 14.21 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.601 2.201 . . . . 0.0 112.621 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -56.42 -55.51 32.68 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.933 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -47.8 149.25 1.33 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.403 -176.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . 0.449 HB12 ' HB3' ' A' ' 10' ' ' TYR 2.46 . . . . . . . 0 C--O 1.233 0.236 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -174.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -56.48 19.89 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -177.025 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.84 69.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.574 -174.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' HB3' HB12 ' A' ' 7' ' ' AIB . 89.0 t80 -58.98 -32.77 69.97 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 110.816 -179.525 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.59 18.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.75 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -59.65 -35.58 74.7 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.358 179.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.606 ' CH2' ' HG3' ' A' ' 3' ' ' PRO . 82.2 t90 -55.18 -46.12 75.79 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.887 178.772 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.63 -42.05 99.37 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.512 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.26 -31.8 67.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.057 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 18.02 6.09 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' HA2' ' CD2' ' A' ' 13' ' ' TRP . . . 59.41 -104.49 0.55 Allowed Glycine 0 C--N 1.339 0.712 0 C-N-CA 121.257 -0.497 . . . . 0.0 112.948 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -66.29 -29.28 69.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.371 0.129 . . . . 0.0 111.321 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.78 42.16 1.09 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 179.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.045 -179.92 . . . . . . . . 0 0 . 1 stop_ save_