data_2jta_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 2jta _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.589 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.604 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' THR . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.627 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.615 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.64 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.64 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.591 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.461 0.088 0 CA-C-O 120.739 0.304 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.478 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.496 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.627 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.61 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.63 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.486 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.652 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.504 0.192 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.731 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.731 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.737 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.702 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.737 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.697 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.686 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.697 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -159.59 144.91 15.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.622 0.249 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.619 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -160.02 143.51 14.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.598 0.237 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.628 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -161.46 144.35 12.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.628 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 10.6 mp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.54 0.209 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -156.0 146.9 22.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.584 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.516 0.198 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.597 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -156.47 146.19 20.92 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.589 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.524 0.202 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.604 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -157.2 145.27 19.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.604 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 6' ' ' THR . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.533 0.206 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -163.66 141.57 7.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -179.683 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.642 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.623 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 2.3 mp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -158.86 144.01 16.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.627 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -158.25 144.75 17.45 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.64 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.64 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 2.9 mp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.559 0.219 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -155.85 146.11 21.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.591 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.586 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 52.4 mt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -156.64 145.75 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.593 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.514 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 1.2 mm? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -162.0 144.46 11.5 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.607 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 8.7 mt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.703 0.287 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -160.77 142.18 12.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.205 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.487 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 1.1 mt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.365 0.126 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -148.55 150.75 33.9 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.606 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.478 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 1.1 mm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.447 0.165 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -143.13 149.58 38.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 -179.152 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.496 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.627 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 1.1 mp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.469 0.176 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.39 151.81 51.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.61 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.63 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 3.5 mp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.68 146.37 49.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.602 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.486 ' C ' ' HD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.652 ' HD1' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.474 0.178 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.701 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -163.04 139.4 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.603 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.731 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.701 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.731 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.445 0.165 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.737 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -164.64 140.01 5.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.702 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.737 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.498 0.189 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.26 141.3 5.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.697 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.686 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 5' ' ' ARG . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.697 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.729 HG22 ' HB2' ' A' ' 9' ' ' ASP . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.619 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' OD1' ' A' ' 3' ' ' ASP . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.73 ' OD1' HD13 ' A' ' 7' ' ' LEU . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.706 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD13 ' OD1' ' A' ' 3' ' ' ASP . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.783 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.604 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.783 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.638 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.695 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.695 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.624 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 9' ' ' ASP . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.689 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 9' ' ' ASP . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 7' ' ' LEU . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.777 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.461 0.088 0 CA-C-O 120.739 0.304 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.64 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 9' ' ' ASP . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.663 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.65 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HB2' ' A' ' 9' ' ' ASP . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.648 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.654 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.504 0.192 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.739 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 6' ' ' THR . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.676 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.739 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.758 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' THR . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' THR . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -159.59 144.91 15.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 6.4 mt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.622 0.249 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -160.02 143.51 14.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.598 0.237 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -161.46 144.35 12.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 10.6 mp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.54 0.209 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -156.0 146.9 22.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.729 HG22 ' HB2' ' A' ' 9' ' ' ASP . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.516 0.198 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -156.47 146.19 20.92 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.619 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.524 0.202 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -157.2 145.27 19.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' OD1' ' A' ' 3' ' ' ASP . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 5' ' ' ARG . 2.3 mp . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.533 0.206 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -163.66 141.57 7.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.73 ' OD1' HD13 ' A' ' 7' ' ' LEU . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.706 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD13 ' OD1' ' A' ' 3' ' ' ASP . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.561 HD22 ' CD ' ' A' ' 5' ' ' ARG . 2.3 mp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -158.86 144.01 16.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.783 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.604 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.783 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.621 HD22 ' CD ' ' A' ' 5' ' ' ARG . 1.4 mp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -158.25 144.75 17.45 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.638 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 2.9 mp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.559 0.219 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -155.85 146.11 21.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.695 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.695 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 52.4 mt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -156.64 145.75 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.624 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 9' ' ' ASP . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.689 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 1.2 mm? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -162.0 144.46 11.5 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 9' ' ' ASP . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 7' ' ' LEU . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.777 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 8.7 mt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.703 0.287 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -160.77 142.18 12.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.205 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 1.1 mt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.365 0.126 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -148.55 150.75 33.9 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.64 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 9' ' ' ASP . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.663 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 1' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.447 0.165 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -143.13 149.58 38.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 -179.152 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 10' ' ' TYR . 1.1 mp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.469 0.176 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.39 151.81 51.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.65 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HB2' ' A' ' 9' ' ' ASP . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.648 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 3.5 mp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.68 146.37 49.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.654 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.474 0.178 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -163.04 139.4 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.603 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.739 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 6' ' ' THR . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.676 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.739 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.445 0.165 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.758 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -164.64 140.01 5.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' THR . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 1' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.498 0.189 . . . . 0.0 111.372 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.26 141.3 5.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' THR . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.097 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.056 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.729 HG22 ' HB2' ' A' ' 9' ' ' ASP . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.619 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' OD1' ' A' ' 3' ' ' ASP . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.73 ' OD1' HD13 ' A' ' 7' ' ' LEU . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.706 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD13 ' OD1' ' A' ' 3' ' ' ASP . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.783 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.604 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.783 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.638 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.695 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.695 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.624 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 9' ' ' ASP . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.689 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 9' ' ' ASP . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 7' ' ' LEU . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.777 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.461 0.088 0 CA-C-O 120.739 0.304 . . . . 0.0 111.205 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.64 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 9' ' ' ASP . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.663 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.667 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.65 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HB2' ' A' ' 9' ' ' ASP . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.648 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.654 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.504 0.192 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.739 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 6' ' ' THR . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.676 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.739 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.758 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' THR . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' THR . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.499 0.19 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.623 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -159.59 144.91 15.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.796 0.332 . . . . 0.0 111.206 -179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.9 p-10 -70.45 -34.82 72.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 -31.19 77.67 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 109.283 -1.527 . . . . 0.0 109.283 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -60.6 -37.73 82.34 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.51 101.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.094 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' THR . 92.1 mt -28.44 127.25 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m 40.16 32.98 0.14 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.459 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -136.56 -66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.616 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.603 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 6.4 mt . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.622 0.249 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -160.02 143.51 14.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 111.303 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.2 p30 -69.86 -35.08 74.42 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.35 -30.58 76.59 Favored Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.629 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.97 -37.02 80.95 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.1 m -176.4 100.65 0.06 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.094 177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 5.8 mt -27.93 127.48 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m 39.73 33.25 0.12 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.41 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -137.82 -65.46 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.713 -178.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.56 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.598 0.237 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -161.46 144.35 12.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.749 0.309 . . . . 0.0 111.221 -179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.4 p30 -70.36 -35.38 73.52 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.97 -30.54 75.69 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 2.2 tpt85 -60.94 -37.75 83.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.718 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.8 m -176.46 100.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.5 -1.227 . . . . 0.0 109.083 178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.3 mp -28.01 127.04 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 40.31 33.01 0.15 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.499 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.718 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -136.92 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.739 -178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.483 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 10.6 mp . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.54 0.209 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -156.0 146.9 22.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 111.378 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.625 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 15.5 p30 -70.98 -33.81 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 177.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.22 -31.85 80.53 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.593 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -60.84 -37.55 82.44 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 177.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.729 HG22 ' HB2' ' A' ' 9' ' ' ASP . 93.2 m -175.93 101.94 0.07 Allowed 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.247 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 mt -28.77 127.31 0.09 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m 39.47 32.94 0.1 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.564 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.729 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -138.2 -64.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.661 -179.021 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.625 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.516 0.198 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -156.47 146.19 20.92 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.791 0.329 . . . . 0.0 111.316 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.619 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p30 -70.53 -34.58 72.44 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.52 -31.7 78.57 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.605 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.93 -37.65 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 92.5 m -176.51 101.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.152 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -28.15 127.74 0.08 Allowed 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.4 m 39.99 32.74 0.12 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.519 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.56 -65.45 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.627 -178.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.619 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.526 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.524 0.202 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.614 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -157.2 145.27 19.24 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.85 0.357 . . . . 0.0 111.347 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.634 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.1 t70 -70.15 -35.04 73.76 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.39 -30.92 77.65 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -61.29 -36.8 81.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.72 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.1 m -176.66 102.97 0.06 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.604 -1.18 . . . . 0.0 109.184 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' OD1' ' A' ' 3' ' ' ASP . 11.7 mt -29.08 127.7 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 m 38.45 33.85 0.07 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.442 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.72 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.82 -65.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.719 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.634 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 5' ' ' ARG . 2.3 mp . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.533 0.206 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.652 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -163.66 141.57 7.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 111.293 -179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.73 ' OD1' HD13 ' A' ' 7' ' ' LEU . 4.3 t70 -69.55 -35.91 75.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 177.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.23 76.09 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.25 -37.81 81.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.706 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.83 106.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.966 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD13 ' OD1' ' A' ' 3' ' ' ASP . 3.5 mm? -30.78 126.56 0.17 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m 38.94 33.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.474 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.3 OUTLIER -135.05 -65.36 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.623 -178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.556 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.561 HD22 ' CD ' ' A' ' 5' ' ' ARG . 2.3 mp . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.653 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -158.86 144.01 16.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.786 0.327 . . . . 0.0 111.388 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 6.2 t70 -69.17 -34.97 75.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 -31.22 76.46 Favored Glycine 0 N--CA 1.439 -1.118 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.653 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.87 -41.49 87.21 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.783 HG22 ' HB2' ' A' ' 9' ' ' ASP . 91.9 m -173.47 107.2 0.14 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.035 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.604 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.6 mp -31.77 126.88 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 m 42.02 31.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.513 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.783 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -132.23 -67.82 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.519 -179.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.49 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.621 HD22 ' CD ' ' A' ' 5' ' ' ARG . 1.4 mp . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -158.25 144.75 17.45 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.754 0.312 . . . . 0.0 111.427 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.638 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 3.3 p-10 -70.41 -34.47 72.56 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.36 -30.98 77.78 Favored Glycine 0 N--CA 1.439 -1.103 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.634 ' HG2' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.04 -36.61 82.11 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.185 -1.042 . . . . 0.0 108.185 177.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 9' ' ' ASP . 87.4 m -175.96 101.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.227 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' THR . 6.3 mt -29.09 127.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m 39.35 33.26 0.1 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.614 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -137.61 -65.16 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.653 -179.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.554 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 2.9 mp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.559 0.219 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -155.85 146.11 21.65 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.766 0.317 . . . . 0.0 111.267 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.616 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 2.3 p30 -70.54 -33.69 71.43 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -31.57 79.96 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.4 OUTLIER -61.31 -37.32 82.83 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.695 HG22 ' HB2' ' A' ' 9' ' ' ASP . 89.6 m -175.88 103.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.141 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 7' ' ' LEU . 5.2 mp -28.92 124.79 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p 39.78 32.17 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.695 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.5 -62.19 0.71 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.152 -179.284 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.549 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 52.4 mt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -156.64 145.75 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.726 0.298 . . . . 0.0 111.345 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.624 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.9 p30 -70.09 -33.45 71.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.59 -31.63 80.52 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.592 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -61.2 -37.3 82.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.689 HG22 ' HB2' ' A' ' 9' ' ' ASP . 72.1 m -175.84 102.92 0.07 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.133 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -29.6 125.68 0.13 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.418 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.1 p 40.0 31.87 0.1 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.676 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.689 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -135.41 -62.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.279 -179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.59 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 1.2 mm? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.615 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -162.0 144.46 11.5 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.858 0.361 . . . . 0.0 111.441 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.658 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.9 t70 -71.39 -35.14 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.63 75.29 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.615 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.25 -41.33 92.95 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.777 HG22 ' HB2' ' A' ' 9' ' ' ASP . 85.3 m -173.51 107.27 0.14 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.089 -1.414 . . . . 0.0 108.897 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.609 ' H ' HD12 ' A' ' 7' ' ' LEU . 6.0 mp -32.21 125.89 0.28 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m 42.44 31.14 0.25 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.475 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.777 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -131.65 -67.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -179.121 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.658 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.64 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 10' ' ' TYR . 8.7 mt . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.703 0.287 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.644 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -160.77 142.18 12.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.205 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 4.5 p-10 -69.38 -35.25 75.63 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 177.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.33 76.12 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.644 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.69 -36.15 78.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.73 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.8 m -177.12 99.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.984 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.817 ' O ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -28.51 131.63 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m 37.9 33.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.57 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.73 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.34 -65.56 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.001 -178.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.631 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.435 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 1.1 mt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.365 0.126 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -148.55 150.75 33.9 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 111.887 -179.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.64 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.6 p30 -73.77 -34.1 64.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.68 -30.94 76.22 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 109.385 -1.486 . . . . 0.0 109.385 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -60.29 -36.27 77.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 9' ' ' ASP . 94.4 m -174.61 98.89 0.09 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.502 178.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' THR . 3.4 mt -27.99 128.03 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m 39.77 32.94 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.706 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.663 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.21 -62.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.735 -179.063 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.64 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.566 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 1' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.447 0.165 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -143.13 149.58 38.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.985 0.421 . . . . 0.0 111.872 -179.152 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.7 p30 -73.49 -34.16 65.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.63 75.44 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.75 -34.53 74.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 9' ' ' ASP . 96.2 m -175.72 96.85 0.07 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.491 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -26.7 129.13 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.484 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 38.61 33.85 0.07 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.741 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.2 OUTLIER -143.62 -62.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.137 0.494 . . . . 0.0 111.803 -179.159 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.467 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 10' ' ' TYR . 1.1 mp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.469 0.176 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.39 151.81 51.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 111.912 -179.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.65 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 17.1 p-10 -76.56 -33.64 58.5 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 176.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.39 -31.14 76.26 Favored Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -59.49 -36.66 76.46 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.051 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HB2' ' A' ' 9' ' ' ASP . 97.5 m -174.78 97.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.477 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 7' ' ' LEU . 4.8 mp -26.55 128.38 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 38.5 33.91 0.07 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.703 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.648 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -142.92 -62.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.734 -179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.517 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' TYR . 3.5 mp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.529 0.204 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.68 146.37 49.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.009 0.433 . . . . 0.0 111.973 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.639 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 5.5 t70 -74.97 -36.56 62.05 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 176.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -30.15 72.63 Favored Glycine 0 N--CA 1.441 -1.029 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -60.39 -34.66 74.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' ' 9' ' ' ASP . 88.6 m -175.83 102.47 0.07 Allowed 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.458 178.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -30.46 128.89 0.12 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.4 m 38.46 33.31 0.06 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.011 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.654 ' HB2' HG22 ' A' ' 6' ' ' THR . 0.1 OUTLIER -143.96 -61.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.238 0.542 . . . . 0.0 111.89 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.571 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.474 0.178 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.723 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -163.04 139.4 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.603 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.739 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 1.3 p30 -65.22 -30.53 71.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.44 -26.6 74.22 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.723 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 1.8 tpm_? -53.37 -44.51 68.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 6' ' ' THR . 18.1 m -175.15 67.85 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.714 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.676 HD22 ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER 48.0 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.487 -179.024 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.41 59.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.196 0.522 . . . . 0.0 110.128 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.593 ' C ' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -155.92 -62.65 0.11 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.551 -178.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.739 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.038 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.445 0.165 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.758 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -164.64 140.01 5.66 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 110.769 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.6 t70 -66.05 -29.68 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.39 -26.35 74.63 Favored Glycine 0 N--CA 1.44 -1.091 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.758 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 7.2 tpt85 -53.17 -44.8 68.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' THR . 20.0 m -174.89 65.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.586 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 9' ' ' ASP . 1.0 OUTLIER 47.38 -167.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.626 -178.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 74.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.475 0.655 . . . . 0.0 109.894 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -173.56 -64.22 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.381 -178.121 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.022 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 1' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.498 0.189 . . . . 0.0 111.372 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 5' ' ' ARG . 0.2 OUTLIER -165.26 141.3 5.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.748 0.309 . . . . 0.0 110.948 -179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.722 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 14.1 p-10 -70.64 -27.22 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.17 -24.25 75.96 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.7 ' HB3' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -58.39 -40.73 83.14 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 6' ' ' THR . 26.9 m -174.67 63.97 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.045 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' ' O ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER 46.52 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.109 -179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.3 74.83 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.556 0.693 . . . . 0.0 109.974 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -173.96 -64.19 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.259 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.722 ' CE1' ' HA ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.48 -1.236 . . . . 0.0 111.005 178.594 . . . . . . . . 2 2 . 1 stop_ save_